1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide

C20H15Cl2N5O — CID 2738780

IUPAC1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N5O/c1-12-17(11-23-27(12)16-8-6-15(22)7-9-16)20(28)24-19-10-18(25-26-19)13-2-4-14(21)5-3-13/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyJVFXRJSYIBZGTP-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.13
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 2738780) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID2738780
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N5O/c1-12-17(11-23-27(12)16-8-6-15(22)7-9-16)20(28)24-19-10-18(25-26-19)13-2-4-14(21)5-3-13/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyJVFXRJSYIBZGTP-UHFFFAOYSA-N
XLogP5.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide
CID 166376138
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 157416031
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 24629643
ethyl (E)-3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]but-2-enoate
CID 786793
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide (CID 2738780) is 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is JVFXRJSYIBZGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c1-12-17(11-23-27(12)16-8-6-15(22)7-9-16)20(28)24-19-10-18(25-26-19)13-2-4-14(21)5-3-13/h2-11H,1H3,(H2,24,25,26,28).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2738780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).