4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide

C21H20N4O — CID 167780292

IUPAC4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-12-8-9-17-16(14(12)3)10-19(22-17)21(26)23-20-11-18(24-25-20)15-7-5-4-6-13(15)2/h4-11,22H,1-3H3,(H2,23,24,25,26)
InChIKeyFFOSHGSNEPAPEU-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.74
Rot. Bonds3

About 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide

4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide (PubChem CID 167780292) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide
PubChem CID167780292
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-12-8-9-17-16(14(12)3)10-19(22-17)21(26)23-20-11-18(24-25-20)15-7-5-4-6-13(15)2/h4-11,22H,1-3H3,(H2,23,24,25,26)
InChIKeyFFOSHGSNEPAPEU-UHFFFAOYSA-N
XLogP4.74
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 54595204
4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 86963672
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-fluoro-1H-indole-2-carboxamide
CID 154868616
4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86963715
(2S)-2-methyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-3-methylsulfonylpropanamide
CID 97319226
N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide
CID 110082562
4,5-dimethyl-N-(2-methylcyclopentyl)-1H-indole-2-carboxamide
CID 86963857
N-[3,3-bis(hydroxymethyl)cyclobutyl]-4,5-dimethyl-1H-indole-2-carboxamide
CID 126842139
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
(2S,3S)-2-[(4,5-dimethyl-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194097

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide (CID 167780292) is 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide is Cc1ccccc1-c1cc(NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n[nH]1.
What is the InChIKey of 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide?
The InChIKey is FFOSHGSNEPAPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-12-8-9-17-16(14(12)3)10-19(22-17)21(26)23-20-11-18(24-25-20)15-7-5-4-6-13(15)2/h4-11,22H,1-3H3,(H2,23,24,25,26).
What are the key properties of 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide?
4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167780292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).