N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide

C18H14ClN3O2 — CID 19262438

IUPACN-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H14ClN3O2/c1-22-10-9-16(21-22)18(24)20-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,24)
InChIKeySBMMLTCQRVFTNC-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.56
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19262438) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID19262438
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H14ClN3O2/c1-22-10-9-16(21-22)18(24)20-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,24)
InChIKeySBMMLTCQRVFTNC-UHFFFAOYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide (CID 19262438) is N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SBMMLTCQRVFTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-22-10-9-16(21-22)18(24)20-15-8-7-13(19)11-14(15)17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,24).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).