N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H22N4O2 — CID 125159232

IUPACN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3n[nH]c4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)20-19(25)18-15-4-2-3-5-16(15)21-22-18/h6-9,13H,2-5,10-11H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1
InChIKeyXYYPZLMJDAKTOE-ZDUSSCGKSA-N
MW338.41 g/mol
LogP2.13
Rot. Bonds3

About N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 125159232) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID125159232
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3n[nH]c4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)20-19(25)18-15-4-2-3-5-16(15)21-22-18/h6-9,13H,2-5,10-11H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1
InChIKeyXYYPZLMJDAKTOE-ZDUSSCGKSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 95730020
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 125164849
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 7513965
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
(5R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665107
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 125159232) is N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)c3n[nH]c4c3CCCC4)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is XYYPZLMJDAKTOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)20-19(25)18-15-4-2-3-5-16(15)21-22-18/h6-9,13H,2-5,10-11H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 125159232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).