1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide

C22H19Cl2N5O2 — CID 19284116

IUPAC1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2N5O2/c1-15-11-21(27-29(15)13-16-5-7-17(23)8-6-16)25-22(30)20-9-10-28(26-20)14-31-19-4-2-3-18(24)12-19/h2-12H,13-14H2,1H3,(H,25,27,30)
InChIKeyAMCMPAXDDQBMAZ-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.03
Rot. Bonds7

About 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide

1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19284116) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID19284116
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.33 g/mol
Exact Mass455.09
IUPAC Name1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2N5O2/c1-15-11-21(27-29(15)13-16-5-7-17(23)8-6-16)25-22(30)20-9-10-28(26-20)14-31-19-4-2-3-18(24)12-19/h2-12H,13-14H2,1H3,(H,25,27,30)
InChIKeyAMCMPAXDDQBMAZ-UHFFFAOYSA-N
XLogP5.03
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284121
N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19337615
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19337365
N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19334987
1-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276584
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19335348
1-[(3-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19276484
methyl 4-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748828
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337296
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19392663
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505338

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide (CID 19284116) is 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is AMCMPAXDDQBMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c1-15-11-21(27-29(15)13-16-5-7-17(23)8-6-16)25-22(30)20-9-10-28(26-20)14-31-19-4-2-3-18(24)12-19/h2-12H,13-14H2,1H3,(H,25,27,30).
What are the key properties of 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide?
1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19284116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).