N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C12H11ClFN3O — CID 62734214

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c1-7-9(6-16-17-7)12(18)15-5-8-2-3-11(14)10(13)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyJITLTVDTQSWJLA-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.44
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 62734214) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID62734214
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O/c1-7-9(6-16-17-7)12(18)15-5-8-2-3-11(14)10(13)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyJITLTVDTQSWJLA-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-methylpyrimidine-4-carboxylic acid
CID 25003192
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 62734214) is N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JITLTVDTQSWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-9(6-16-17-7)12(18)15-5-8-2-3-11(14)10(13)4-8/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 267.69 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62734214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).