N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide

C11H10ClN3O — CID 175244681

IUPACN-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide
SMILESCc1c(NC=O)n[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-7-10(14-15-11(7)13-6-16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyVWWNYGRRJDBARJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.61
Rot. Bonds3

About N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide

N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide (PubChem CID 175244681) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide
PubChem CID175244681
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide
SMILESCc1c(NC=O)n[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-7-10(14-15-11(7)13-6-16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyVWWNYGRRJDBARJ-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-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-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide?
The IUPAC name of N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide (CID 175244681) is N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide is Cc1c(NC=O)n[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide?
The InChIKey is VWWNYGRRJDBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-10(14-15-11(7)13-6-16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide?
N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide has a molecular weight of 235.67 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]formamide is sourced from PubChem (CID 175244681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).