(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C12H20N4O2 — CID 111102205

IUPAC(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1nccc1NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C12H20N4O2/c1-9(2)7-16-11(3-5-13-16)14-12(18)15-6-4-10(17)8-15/h3,5,9-10,17H,4,6-8H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyRETVMRXLEMLPKP-JTQLQIEISA-N
MW252.32 g/mol
LogP1.14
Rot. Bonds3

About (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 111102205) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID111102205
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1nccc1NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C12H20N4O2/c1-9(2)7-16-11(3-5-13-16)14-12(18)15-6-4-10(17)8-15/h3,5,9-10,17H,4,6-8H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyRETVMRXLEMLPKP-JTQLQIEISA-N
XLogP1.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 72941363
N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 136562918
tert-butyl 4-[[2-(2-methylpropyl)pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 60601124
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 109477654
1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118779891
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 111383894
N-(3-methylcyclopentyl)-2-(2-methylpropyl)pyrazol-3-amine
CID 115924348

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 111102205) is (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is CC(C)Cn1nccc1NC(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is RETVMRXLEMLPKP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)7-16-11(3-5-13-16)14-12(18)15-6-4-10(17)8-15/h3,5,9-10,17H,4,6-8H2,1-2H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111102205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).