N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide

C11H9ClFN3O — CID 6465834

IUPACN-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(4-5-14-16)11(17)15-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H,15,17)
InChIKeyNWFVSVTUBBOONP-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.46
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 6465834) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID6465834
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(4-5-14-16)11(17)15-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H,15,17)
InChIKeyNWFVSVTUBBOONP-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490016
2-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485877
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62921141
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide (CID 6465834) is N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is NWFVSVTUBBOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-10(4-5-14-16)11(17)15-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6465834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).