N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C12H9ClF3N3O — CID 19508080

IUPACN-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H9ClF3N3O/c1-6-7(13)3-2-4-8(6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)
InChIKeyNHIMBKLXIPFPNA-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.64
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508080) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508080
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H9ClF3N3O/c1-6-7(13)3-2-4-8(6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19)
InChIKeyNHIMBKLXIPFPNA-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 16659761
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508169
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110859043
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508080) is N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NHIMBKLXIPFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-6-7(13)3-2-4-8(6)17-11(20)9-5-10(19-18-9)12(14,15)16/h2-5H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).