(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one

C10H12N2O — CID 178067987

IUPAC(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one
SMILESCC(=O)/C(=C/C1CC1)n1cccn1
InChIInChI=1S/C10H12N2O/c1-8(13)10(7-9-3-4-9)12-6-2-5-11-12/h2,5-7,9H,3-4H2,1H3/b10-7-
InChIKeyUUQGTRLDSDDICY-YFHOEESVSA-N
MW176.22 g/mol
LogP1.72
Rot. Bonds3

About (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one

(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one (PubChem CID 178067987) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one
PubChem CID178067987
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one
SMILESCC(=O)/C(=C/C1CC1)n1cccn1
InChIInChI=1S/C10H12N2O/c1-8(13)10(7-9-3-4-9)12-6-2-5-11-12/h2,5-7,9H,3-4H2,1H3/b10-7-
InChIKeyUUQGTRLDSDDICY-YFHOEESVSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one 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 (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one?
The IUPAC name of (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one (CID 178067987) is (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one?
The canonical SMILES for (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one is CC(=O)/C(=C/C1CC1)n1cccn1.
What is the InChIKey of (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one?
The InChIKey is UUQGTRLDSDDICY-YFHOEESVSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(13)10(7-9-3-4-9)12-6-2-5-11-12/h2,5-7,9H,3-4H2,1H3/b10-7-.
What are the key properties of (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one?
(Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopropyl-3-pyrazol-1-ylbut-3-en-2-one is sourced from PubChem (CID 178067987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).