N-prop-2-enyl-N-pyrazol-1-ylformamide

C7H9N3O — CID 87319089

IUPACN-prop-2-enyl-N-pyrazol-1-ylformamide
SMILESC=CCN(C=O)n1cccn1
InChIInChI=1S/C7H9N3O/c1-2-5-9(7-11)10-6-3-4-8-10/h2-4,6-7H,1,5H2
InChIKeyMKXMIVBWVNYMGQ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.16
Rot. Bonds4

About N-prop-2-enyl-N-pyrazol-1-ylformamide

N-prop-2-enyl-N-pyrazol-1-ylformamide (PubChem CID 87319089) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-prop-2-enyl-N-pyrazol-1-ylformamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-pyrazol-1-ylformamide
PubChem CID87319089
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-prop-2-enyl-N-pyrazol-1-ylformamide
SMILESC=CCN(C=O)n1cccn1
InChIInChI=1S/C7H9N3O/c1-2-5-9(7-11)10-6-3-4-8-10/h2-4,6-7H,1,5H2
InChIKeyMKXMIVBWVNYMGQ-UHFFFAOYSA-N
XLogP0.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-pyrazol-1-ylformamide 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

Pyrazole-3(4)-carbaldehyde
CID 22054419
N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 90456060
N-1H-pyrazol-1-ylformamide
CID 638906
N-methyl-N-pyrazol-1-ylformamide
CID 10419179
N,N-dimethylpyrazol-1-amine
CID 19819661
pyrazol-1-yl N,N-dimethylcarbamate
CID 20258147
N-acetyl-N-pyrazol-1-ylacetamide
CID 20453871
1-Isocyanatopyrazole
CID 23103413
N-ethyl-N-methylpyrazol-1-amine
CID 53664697
Methyl(pyrazol-1-yl)carbamic acid
CID 54150805
CID 57648334
CID 57648334
1-Pyrazol-1-ylpyrazin-2-one
CID 68865480

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-pyrazol-1-ylformamide?
The IUPAC name of N-prop-2-enyl-N-pyrazol-1-ylformamide (CID 87319089) is N-prop-2-enyl-N-pyrazol-1-ylformamide.
What is the SMILES notation for N-prop-2-enyl-N-pyrazol-1-ylformamide?
The canonical SMILES for N-prop-2-enyl-N-pyrazol-1-ylformamide is C=CCN(C=O)n1cccn1.
What is the InChIKey of N-prop-2-enyl-N-pyrazol-1-ylformamide?
The InChIKey is MKXMIVBWVNYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-5-9(7-11)10-6-3-4-8-10/h2-4,6-7H,1,5H2.
What are the key properties of N-prop-2-enyl-N-pyrazol-1-ylformamide?
N-prop-2-enyl-N-pyrazol-1-ylformamide has a molecular weight of 151.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-pyrazol-1-ylformamide is sourced from PubChem (CID 87319089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).