2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

C16H21N5O — CID 53499449

IUPAC2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnc(N2CCCC2)c1)n1cccn1
InChIInChI=1S/C16H21N5O/c1-13(21-10-4-6-19-21)16(22)18-12-14-5-7-17-15(11-14)20-8-2-3-9-20/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,18,22)
InChIKeyPXHQODFCJCLBSZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.76
Rot. Bonds5

About 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 53499449) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID53499449
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnc(N2CCCC2)c1)n1cccn1
InChIInChI=1S/C16H21N5O/c1-13(21-10-4-6-19-21)16(22)18-12-14-5-7-17-15(11-14)20-8-2-3-9-20/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,18,22)
InChIKeyPXHQODFCJCLBSZ-UHFFFAOYSA-N
XLogP1.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide 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 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (CID 53499449) is 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is CC(C(=O)NCc1ccnc(N2CCCC2)c1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is PXHQODFCJCLBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(21-10-4-6-19-21)16(22)18-12-14-5-7-17-15(11-14)20-8-2-3-9-20/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,18,22).
What are the key properties of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 299.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 53499449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).