5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide

C117H101Cl6N25O9 — CID 160524547

IUPAC5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O.C19H16ClN5O3.C19H17ClN4O2.3C19H17ClN4O/c23-17-10-8-14(9-11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-6-3-5-15-4-1-2-7-18(15)16;1-11-2-3-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-4-6-14(20)7-5-12;1-26-15-8-4-13(5-9-15)11-22-19-17(18(21)25)16(23-24-19)10-12-2-6-14(20)7-3-12;3*1-12-2-4-14(5-3-12)11-22-19-17(18(21)25)16(23-24-19)10-13-6-8-15(20)9-7-13/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);3*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b25-13+;22-10+;4*22-11+
InChIKeyQUSHXULZHPPJJL-PKHBJAMNSA-N
MW2213.98 g/mol
LogP23.32
Rot. Bonds32

About 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide

5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide (PubChem CID 160524547) has the molecular formula C117H101Cl6N25O9 and a molecular weight of 2213.98 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide
PubChem CID160524547
Molecular FormulaC117H101Cl6N25O9
Molecular Weight2213.98 g/mol
Exact Mass2209.63
IUPAC Name5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O.C19H16ClN5O3.C19H17ClN4O2.3C19H17ClN4O/c23-17-10-8-14(9-11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-6-3-5-15-4-1-2-7-18(15)16;1-11-2-3-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-4-6-14(20)7-5-12;1-26-15-8-4-13(5-9-15)11-22-19-17(18(21)25)16(23-24-19)10-12-2-6-14(20)7-3-12;3*1-12-2-4-14(5-3-12)11-22-19-17(18(21)25)16(23-24-19)10-13-6-8-15(20)9-7-13/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);3*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b25-13+;22-10+;4*22-11+
InChIKeyQUSHXULZHPPJJL-PKHBJAMNSA-N
XLogP23.32
TPSA557.15 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002213.98
LogP ≤ 523.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
CID 157122249
5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carboxamide;tetrakis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 157496188
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 157996933
3-[(3-ethylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-hydroxy-4-methylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;bis(3-[(4-methylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide)
CID 158367427
3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
CID 158571084
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carbonitrile;3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 158640784
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carbonitrile;3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
CID 159304515
3-(benzylideneamino)-5-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(cyclopenta-1,4-dien-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(5-methyl-2-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159373516
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 161371583
3-[(3-ethylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;bis(3-[(4-methylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide)
CID 161604011
N-[(E)-(4-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;N-[(E)-1-naphthalen-2-ylethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;N-[(Z)-(2-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 172958937

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide (CID 160524547) is 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The InChIKey is QUSHXULZHPPJJL-PKHBJAMNSA-N. The full InChI is InChI=1S/C22H17ClN4O.C19H16ClN5O3.C19H17ClN4O2.3C19H17ClN4O/c23-17-10-8-14(9-11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-6-3-5-15-4-1-2-7-18(15)16;1-11-2-3-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-4-6-14(20)7-5-12;1-26-15-8-4-13(5-9-15)11-22-19-17(18(21)25)16(23-24-19)10-12-2-6-14(20)7-3-12;3*1-12-2-4-14(5-3-12)11-22-19-17(18(21)25)16(23-24-19)10-13-6-8-15(20)9-7-13/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);3*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24)/b25-13+;22-10+;4*22-11+.
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide has a molecular weight of 2213.98 g/mol, XLogP of 23.32, 32 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160524547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).