(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone

C16H21N5O — CID 121279659

IUPAC(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC(Nc3ccccn3)C2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-11(2)13-9-14(20-19-13)16(22)21-8-6-12(10-21)18-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBNBACRJYRCHOJC-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.25
Rot. Bonds4

About (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone

(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 121279659) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
PubChem CID121279659
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC(Nc3ccccn3)C2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-11(2)13-9-14(20-19-13)16(22)21-8-6-12(10-21)18-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBNBACRJYRCHOJC-UHFFFAOYSA-N
XLogP2.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone (CID 121279659) is (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC(Nc3ccccn3)C2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is BNBACRJYRCHOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)13-9-14(20-19-13)16(22)21-8-6-12(10-21)18-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-pyrazol-3-yl)-[3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).