1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide

C21H17ClN6O — CID 167928097

IUPAC1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)cnn1-c1ccccc1Cl
InChIInChI=1S/C21H17ClN6O/c1-3-18-15(11-24-28(18)19-7-5-4-6-16(19)22)21(29)25-20-14-8-12(2)13(10-23)9-17(14)26-27-20/h4-9,11H,3H2,1-2H3,(H2,25,26,27,29)
InChIKeyOHLZBCVOOMOVMU-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.40
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide (PubChem CID 167928097) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide
PubChem CID167928097
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC Name1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)cnn1-c1ccccc1Cl
InChIInChI=1S/C21H17ClN6O/c1-3-18-15(11-24-28(18)19-7-5-4-6-16(19)22)21(29)25-20-14-8-12(2)13(10-23)9-17(14)26-27-20/h4-9,11H,3H2,1-2H3,(H2,25,26,27,29)
InChIKeyOHLZBCVOOMOVMU-UHFFFAOYSA-N
XLogP4.40
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 167949292
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 167817105
8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride
CID 166431458
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CID 99122312
N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-piperidin-3-ylpyrazole-3-carboxamide
CID 166394379
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CID 166431465
trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 167772729
1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
CID 55906603
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide
CID 167982263

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide (CID 167928097) is 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is OHLZBCVOOMOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c1-3-18-15(11-24-28(18)19-7-5-4-6-16(19)22)21(29)25-20-14-8-12(2)13(10-23)9-17(14)26-27-20/h4-9,11H,3H2,1-2H3,(H2,25,26,27,29).
What are the key properties of 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 167928097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).