N-pyrazol-1-ylformamide

C4H5N3O — CID 638906

IUPACN-pyrazol-1-ylformamide
SMILESO=CNn1cccn1
InChIInChI=1S/C4H5N3O/c8-4-6-7-3-1-2-5-7/h1-4H,(H,6,8)
InChIKeyVBODFOSGOSHLAH-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.42
Rot. Bonds2

About N-pyrazol-1-ylformamide

N-pyrazol-1-ylformamide (PubChem CID 638906) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is N-pyrazol-1-ylformamide.

Molecular Properties

Compound NameN-pyrazol-1-ylformamide
PubChem CID638906
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC NameN-pyrazol-1-ylformamide
SMILESO=CNn1cccn1
InChIInChI=1S/C4H5N3O/c8-4-6-7-3-1-2-5-7/h1-4H,(H,6,8)
InChIKeyVBODFOSGOSHLAH-UHFFFAOYSA-N
XLogP-0.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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
CID 1048
1-Carbamoyl-3-methylpyrazole
CID 13392
1H-pyrazol-1-amine
CID 11829352
Pyrazole-d4
CID 71309634
1-Deuteriopyrazole
CID 12262518
4-Deuteropyrazole
CID 13971148
1-Ureidopyrazole
CID 19911942
Pyrazol-1-ylcarbamic acid
CID 21327343
Pyrazole carbamate
CID 21692575
5-deuterio-1H-pyrazole
CID 54448774
N-pyrazol-1-ylpropanamide
CID 68996776
Diazolhydrat
CID 69154856

Frequently Asked Questions

What is the IUPAC name of N-pyrazol-1-ylformamide?
The IUPAC name of N-pyrazol-1-ylformamide (CID 638906) is N-pyrazol-1-ylformamide.
What is the SMILES notation for N-pyrazol-1-ylformamide?
The canonical SMILES for N-pyrazol-1-ylformamide is O=CNn1cccn1.
What is the InChIKey of N-pyrazol-1-ylformamide?
The InChIKey is VBODFOSGOSHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c8-4-6-7-3-1-2-5-7/h1-4H,(H,6,8).
What are the key properties of N-pyrazol-1-ylformamide?
N-pyrazol-1-ylformamide has a molecular weight of 111.10 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazol-1-ylformamide is sourced from PubChem (CID 638906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).