1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C15H17ClN4O — CID 138032837

IUPAC1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1Cc1nn(C)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-17-15(21)14-7-10-5-3-4-6-13(10)20(14)9-12-11(16)8-19(2)18-12/h3-6,8,14H,7,9H2,1-2H3,(H,17,21)
InChIKeyUUURAWPOZSPGIK-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.75
Rot. Bonds3

About 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 138032837) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID138032837
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1Cc1nn(C)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-17-15(21)14-7-10-5-3-4-6-13(10)20(14)9-12-11(16)8-19(2)18-12/h3-6,8,14H,7,9H2,1-2H3,(H,17,21)
InChIKeyUUURAWPOZSPGIK-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 154744740
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
(3S)-N-methyl-2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136583018
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 71881537
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41231276

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 138032837) is 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1Cc1nn(C)cc1Cl.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is UUURAWPOZSPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-17-15(21)14-7-10-5-3-4-6-13(10)20(14)9-12-11(16)8-19(2)18-12/h3-6,8,14H,7,9H2,1-2H3,(H,17,21).
What are the key properties of 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 138032837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).