formamide;1H-pyrazole

C4H7N3O — CID 90435541

IUPACformamide;1H-pyrazole
SMILESNC=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;2-1-3/h1-3H,(H,4,5);1H,(H2,2,3)
InChIKeyDZNTVPSDCWWMJR-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.49
Rot. Bonds

About formamide;1H-pyrazole

formamide;1H-pyrazole (PubChem CID 90435541) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is formamide;1H-pyrazole.

Molecular Properties

Compound Nameformamide;1H-pyrazole
PubChem CID90435541
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Nameformamide;1H-pyrazole
SMILESNC=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;2-1-3/h1-3H,(H,4,5);1H,(H2,2,3)
InChIKeyDZNTVPSDCWWMJR-UHFFFAOYSA-N
XLogP-0.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formamide;1H-pyrazole 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 formamide;1H-pyrazole?
The IUPAC name of formamide;1H-pyrazole (CID 90435541) is formamide;1H-pyrazole.
What is the SMILES notation for formamide;1H-pyrazole?
The canonical SMILES for formamide;1H-pyrazole is NC=O.c1cn[nH]c1.
What is the InChIKey of formamide;1H-pyrazole?
The InChIKey is DZNTVPSDCWWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;2-1-3/h1-3H,(H,4,5);1H,(H2,2,3).
What are the key properties of formamide;1H-pyrazole?
formamide;1H-pyrazole has a molecular weight of 113.12 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1H-pyrazole is sourced from PubChem (CID 90435541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).