(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

C14H18N4O — CID 95018921

IUPAC(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCNC1
InChIInChI=1S/C14H18N4O/c1-2-14(5-6-15-9-14)13(19)17-11-3-4-12-10(7-11)8-16-18-12/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyOOVFIVDIZPVQAF-AWEZNQCLSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds3

About (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 95018921) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID95018921
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCNC1
InChIInChI=1S/C14H18N4O/c1-2-14(5-6-15-9-14)13(19)17-11-3-4-12-10(7-11)8-16-18-12/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyOOVFIVDIZPVQAF-AWEZNQCLSA-N
XLogP1.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
3-ethyl-N-quinolin-6-ylpyrrolidine-3-carboxamide
CID 63141954
2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 17164574
(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone
CID 59744849
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 63139330
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
CID 118788784

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (CID 95018921) is (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is CC[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCNC1.
What is the InChIKey of (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is OOVFIVDIZPVQAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-14(5-6-15-9-14)13(19)17-11-3-4-12-10(7-11)8-16-18-12/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,16,18)(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).