(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H20N4O2 — CID 95320646

IUPAC(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C
InChIInChI=1S/C17H20N4O2/c1-3-14-11(2)16(20-19-14)18-17(23)12-9-15(22)21(10-12)13-7-5-4-6-8-13/h4-8,12H,3,9-10H2,1-2H3,(H2,18,19,20,23)/t12-/m0/s1
InChIKeyZFCHLTYUBSABLY-LBPRGKRZSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds4

About (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 95320646) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID95320646
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C
InChIInChI=1S/C17H20N4O2/c1-3-14-11(2)16(20-19-14)18-17(23)12-9-15(22)21(10-12)13-7-5-4-6-8-13/h4-8,12H,3,9-10H2,1-2H3,(H2,18,19,20,23)/t12-/m0/s1
InChIKeyZFCHLTYUBSABLY-LBPRGKRZSA-N
XLogP2.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
3-Aminopyrazole deriv. 15
CID 5330951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
3-Aminopyrazole deriv. 27
CID 5330961
3-Aminopyrazole deriv. 28
CID 5330962
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 5330967
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034
N-butyl-3-{2-[4-(pyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 11361885
N-phenyl-3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645988

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 95320646) is (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C.
What is the InChIKey of (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZFCHLTYUBSABLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-14-11(2)16(20-19-14)18-17(23)12-9-15(22)21(10-12)13-7-5-4-6-8-13/h4-8,12H,3,9-10H2,1-2H3,(H2,18,19,20,23)/t12-/m0/s1.
What are the key properties of (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95320646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).