N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide

C11H10ClN3O — CID 57154308

IUPACN-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
SMILESCc1cn(-c2cccc(Cl)c2)nc1NC=O
InChIInChI=1S/C11H10ClN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-3-9(12)5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyBBPUBINQRPGEFP-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.40
Rot. Bonds3

About N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide

N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide (PubChem CID 57154308) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
PubChem CID57154308
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
SMILESCc1cn(-c2cccc(Cl)c2)nc1NC=O
InChIInChI=1S/C11H10ClN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-3-9(12)5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyBBPUBINQRPGEFP-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide (CID 57154308) is N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide is Cc1cn(-c2cccc(Cl)c2)nc1NC=O.
What is the InChIKey of N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide?
The InChIKey is BBPUBINQRPGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-3-9(12)5-10/h2-7H,1H3,(H,13,14,16).
What are the key properties of N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide?
N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide has a molecular weight of 235.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide is sourced from PubChem (CID 57154308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).