N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C23H22N6O — CID 167949292

IUPACN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc2c(NC(=O)c3cnn(-c4ccccc4C)c3C(C)C)n[nH]c2cc1C#N
InChIInChI=1S/C23H22N6O/c1-13(2)21-18(12-25-29(21)20-8-6-5-7-14(20)3)23(30)26-22-17-9-15(4)16(11-24)10-19(17)27-28-22/h5-10,12-13H,1-4H3,(H2,26,27,28,30)
InChIKeyUYFXFTVPGPOUIJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.61
Rot. Bonds4

About N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 167949292) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID167949292
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc2c(NC(=O)c3cnn(-c4ccccc4C)c3C(C)C)n[nH]c2cc1C#N
InChIInChI=1S/C23H22N6O/c1-13(2)21-18(12-25-29(21)20-8-6-5-7-14(20)3)23(30)26-22-17-9-15(4)16(11-24)10-19(17)27-28-22/h5-10,12-13H,1-4H3,(H2,26,27,28,30)
InChIKeyUYFXFTVPGPOUIJ-UHFFFAOYSA-N
XLogP4.61
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
CID 163215261
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide
CID 164618928
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 164619493
US9862707, Example 4
CID 118393636
US9862707, Example 78
CID 118393876
US10246457, Example 15
CID 122603906
US11649255, Example 477
CID 164520284
US11649255, Example 585
CID 164520392
US11649255, Example 566
CID 164718100
US11649255, Example 584
CID 164718104
US11649255, Example 453
CID 164718165

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 167949292) is N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1cc2c(NC(=O)c3cnn(-c4ccccc4C)c3C(C)C)n[nH]c2cc1C#N.
What is the InChIKey of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UYFXFTVPGPOUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-13(2)21-18(12-25-29(21)20-8-6-5-7-14(20)3)23(30)26-22-17-9-15(4)16(11-24)10-19(17)27-28-22/h5-10,12-13H,1-4H3,(H2,26,27,28,30).
What are the key properties of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167949292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).