N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide

C9H13N3O — CID 157037147

IUPACN-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1[nH]ncc1C1CC1
InChIInChI=1S/C9H13N3O/c1-6(13)10-5-9-8(4-11-12-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyVYEDLSPXPATJHY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

About N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide

N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 157037147) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID157037147
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1[nH]ncc1C1CC1
InChIInChI=1S/C9H13N3O/c1-6(13)10-5-9-8(4-11-12-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyVYEDLSPXPATJHY-UHFFFAOYSA-N
XLogP0.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide 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 N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide (CID 157037147) is N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide is CC(=O)NCc1[nH]ncc1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is VYEDLSPXPATJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13)10-5-9-8(4-11-12-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide?
N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 157037147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).