1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide

C17H20N4O — CID 125442836

IUPAC1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2ccc3ccn(C)c3c2)c1
InChIInChI=1S/C17H20N4O/c1-12-9-19-21(11-12)13(2)10-18-17(22)15-5-4-14-6-7-20(3)16(14)8-15/h4-9,11,13H,10H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyKWKQQHAHUUJXQN-ZDUSSCGKSA-N
MW296.37 g/mol
LogP2.67
Rot. Bonds4

About 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide

1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide (PubChem CID 125442836) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
PubChem CID125442836
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2ccc3ccn(C)c3c2)c1
InChIInChI=1S/C17H20N4O/c1-12-9-19-21(11-12)13(2)10-18-17(22)15-5-4-14-6-7-20(3)16(14)8-15/h4-9,11,13H,10H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyKWKQQHAHUUJXQN-ZDUSSCGKSA-N
XLogP2.67
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 122558961
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125435251
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125438270
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide
CID 125447632
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
CID 125437102
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide (CID 125442836) is 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide is Cc1cnn([C@@H](C)CNC(=O)c2ccc3ccn(C)c3c2)c1.
What is the InChIKey of 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide?
The InChIKey is KWKQQHAHUUJXQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-9-19-21(11-12)13(2)10-18-17(22)15-5-4-14-6-7-20(3)16(14)8-15/h4-9,11,13H,10H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide?
1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide is sourced from PubChem (CID 125442836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).