(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide

C16H18ClN5O2 — CID 95131161

IUPAC(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN5O2/c17-12-4-1-3-11(7-12)14-5-2-6-22(14)16(24)20-13-8-19-21(9-13)10-15(18)23/h1,3-4,7-9,14H,2,5-6,10H2,(H2,18,23)(H,20,24)/t14-/m0/s1
InChIKeyGRGSDPLYCHPATK-AWEZNQCLSA-N
MW347.81 g/mol
LogP2.39
Rot. Bonds4

About (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide

(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 95131161) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
PubChem CID95131161
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H18ClN5O2/c17-12-4-1-3-11(7-12)14-5-2-6-22(14)16(24)20-13-8-19-21(9-13)10-15(18)23/h1,3-4,7-9,14H,2,5-6,10H2,(H2,18,23)(H,20,24)/t14-/m0/s1
InChIKeyGRGSDPLYCHPATK-AWEZNQCLSA-N
XLogP2.39
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131115
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51962158
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
2-(4-chloropyrazol-1-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 50747286
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide (CID 95131161) is (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide is NC(=O)Cn1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cn1.
What is the InChIKey of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is GRGSDPLYCHPATK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c17-12-4-1-3-11(7-12)14-5-2-6-22(14)16(24)20-13-8-19-21(9-13)10-15(18)23/h1,3-4,7-9,14H,2,5-6,10H2,(H2,18,23)(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide?
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95131161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).