N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide

C18H22N4O2 — CID 71705985

IUPACN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23)
InChIKeyHUMHZUPYRWXANK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.53
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide

N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide (PubChem CID 71705985) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
PubChem CID71705985
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23)
InChIKeyHUMHZUPYRWXANK-UHFFFAOYSA-N
XLogP3.53
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 141736367
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57396000
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57401230
N-[6-[4-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155537412
5-methoxy-1,2-dimethyl-N'-[(E)-(1-methyl-1H-indol-3-yl)methylidene]-1H-indole-3-carbohydrazide
CID 9635778
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57392519
N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394245
N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57396001
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576377
3-[2-(1H-indol-5-yl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177980
3-[(1-Acetyl-5-methoxyindole-3-carbonyl)amino]-5-(1-methylpyrazol-4-yl)benzoic acid
CID 145957310
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551960

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide (CID 71705985) is N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The InChIKey is HUMHZUPYRWXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).