N-(3-methylpyrazol-1-yl)formamide

C5H7N3O — CID 13392

IUPACN-(3-methylpyrazol-1-yl)formamide
SMILESCc1ccn(NC=O)n1
InChIInChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9)
InChIKeyAJDAWQUQDDHYHH-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.11
Rot. Bonds2

About N-(3-methylpyrazol-1-yl)formamide

N-(3-methylpyrazol-1-yl)formamide (PubChem CID 13392) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-(3-methylpyrazol-1-yl)formamide.

Molecular Properties

Compound NameN-(3-methylpyrazol-1-yl)formamide
PubChem CID13392
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-(3-methylpyrazol-1-yl)formamide
SMILESCc1ccn(NC=O)n1
InChIInChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9)
InChIKeyAJDAWQUQDDHYHH-UHFFFAOYSA-N
XLogP-0.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylpyrazol-1-yl)formamide 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-(3-methylpyrazol-1-yl)formamide?
The IUPAC name of N-(3-methylpyrazol-1-yl)formamide (CID 13392) is N-(3-methylpyrazol-1-yl)formamide.
What is the SMILES notation for N-(3-methylpyrazol-1-yl)formamide?
The canonical SMILES for N-(3-methylpyrazol-1-yl)formamide is Cc1ccn(NC=O)n1.
What is the InChIKey of N-(3-methylpyrazol-1-yl)formamide?
The InChIKey is AJDAWQUQDDHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9).
What are the key properties of N-(3-methylpyrazol-1-yl)formamide?
N-(3-methylpyrazol-1-yl)formamide has a molecular weight of 125.13 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrazol-1-yl)formamide is sourced from PubChem (CID 13392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).