N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C23H17ClN6O2 — CID 10049148

IUPACN-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(N=[N+]=[N-])cc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClN6O2/c1-32-20-12-10-19(11-13-20)30-22(15-2-4-16(24)5-3-15)14-21(28-30)23(31)26-17-6-8-18(9-7-17)27-29-25/h2-14H,1H3,(H,26,31)
InChIKeyBQYAFTYQSJFBIH-UHFFFAOYSA-N
MW444.88 g/mol
LogP6.40
Rot. Bonds6

About N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 10049148) has the molecular formula C23H17ClN6O2 and a molecular weight of 444.88 g/mol. Its IUPAC name is N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID10049148
Molecular FormulaC23H17ClN6O2
Molecular Weight444.88 g/mol
Exact Mass444.11
IUPAC NameN-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(N=[N+]=[N-])cc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClN6O2/c1-32-20-12-10-19(11-13-20)30-22(15-2-4-16(24)5-3-15)14-21(28-30)23(31)26-17-6-8-18(9-7-17)27-29-25/h2-14H,1H3,(H,26,31)
InChIKeyBQYAFTYQSJFBIH-UHFFFAOYSA-N
XLogP6.40
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.88
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
N-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 20997349
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238

Frequently Asked Questions

What is the IUPAC name of N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 10049148) is N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccc(N=[N+]=[N-])cc3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is BQYAFTYQSJFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O2/c1-32-20-12-10-19(11-13-20)30-22(15-2-4-16(24)5-3-15)14-21(28-30)23(31)26-17-6-8-18(9-7-17)27-29-25/h2-14H,1H3,(H,26,31).
What are the key properties of N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10049148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).