(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H22N4O2 — CID 112623797

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(19)17-5-4-9(6-17)8(3)18/h7-9,18H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyJRUUDKDBJKAPRF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.96
Rot. Bonds3

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112623797) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112623797
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(19)17-5-4-9(6-17)8(3)18/h7-9,18H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyJRUUDKDBJKAPRF-UHFFFAOYSA-N
XLogP0.96
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone 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

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603103
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62075873
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62075422
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210661
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-methylpiperazin-2-one
CID 64682975
(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967129

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112623797) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JRUUDKDBJKAPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(19)17-5-4-9(6-17)8(3)18/h7-9,18H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112623797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).