(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide

C19H19N5O2 — CID 99874135

IUPAC(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cnc4cc(C)nn4c3)CC2=O)cc1
InChIInChI=1S/C19H19N5O2/c1-12-3-5-16(6-4-12)23-10-14(8-18(23)25)19(26)21-15-9-20-17-7-13(2)22-24(17)11-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyUEJBLNWRDQUNHM-AWEZNQCLSA-N
MW349.39 g/mol
LogP2.34
Rot. Bonds3

About (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99874135) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99874135
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cnc4cc(C)nn4c3)CC2=O)cc1
InChIInChI=1S/C19H19N5O2/c1-12-3-5-16(6-4-12)23-10-14(8-18(23)25)19(26)21-15-9-20-17-7-13(2)22-24(17)11-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyUEJBLNWRDQUNHM-AWEZNQCLSA-N
XLogP2.34
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 37334600
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 21230150
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122311663
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 99874135) is (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)Nc3cnc4cc(C)nn4c3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UEJBLNWRDQUNHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-3-5-16(6-4-12)23-10-14(8-18(23)25)19(26)21-15-9-20-17-7-13(2)22-24(17)11-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,21,26)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99874135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).