N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide

C12H12N4O2 — CID 78982095

IUPACN-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc3cn[nH]c23)CN1
InChIInChI=1S/C12H12N4O2/c17-10-4-8(5-13-10)12(18)15-9-3-1-2-7-6-14-16-11(7)9/h1-3,6,8H,4-5H2,(H,13,17)(H,14,16)(H,15,18)
InChIKeyVEPQMPUNQKAMHE-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.64
Rot. Bonds2

About N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide

N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982095) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982095
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc3cn[nH]c23)CN1
InChIInChI=1S/C12H12N4O2/c17-10-4-8(5-13-10)12(18)15-9-3-1-2-7-6-14-16-11(7)9/h1-3,6,8H,4-5H2,(H,13,17)(H,14,16)(H,15,18)
InChIKeyVEPQMPUNQKAMHE-UHFFFAOYSA-N
XLogP0.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
CID 34148096
N-(1H-indazol-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420816
2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54868364
(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
CID 113263883
2-(1H-indazol-7-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978246
cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95979860
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325
N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192399
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide (CID 78982095) is N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cccc3cn[nH]c23)CN1.
What is the InChIKey of N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VEPQMPUNQKAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-10-4-8(5-13-10)12(18)15-9-3-1-2-7-6-14-16-11(7)9/h1-3,6,8H,4-5H2,(H,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide?
N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).