1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C16H19Cl2N3O — CID 9209718

IUPAC1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)NCc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-3-4-9-21-15(18)14(11(2)20-21)16(22)19-10-12-7-5-6-8-13(12)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyOODSRTSXWAQACV-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.23
Rot. Bonds6

About 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 9209718) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID9209718
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)NCc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-3-4-9-21-15(18)14(11(2)20-21)16(22)19-10-12-7-5-6-8-13(12)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyOODSRTSXWAQACV-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
CID 24517487
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34558813
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 46400897
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8986946
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 136533220
1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide
CID 24632299

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 9209718) is 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide is CCCCn1nc(C)c(C(=O)NCc2ccccc2Cl)c1Cl.
What is the InChIKey of 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is OODSRTSXWAQACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-3-4-9-21-15(18)14(11(2)20-21)16(22)19-10-12-7-5-6-8-13(12)17/h5-8H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9209718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).