4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

C15H15ClF3N3O — CID 77080184

IUPAC4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)c2ccccc2C(F)(F)F)nn1C
InChIInChI=1S/C15H15ClF3N3O/c1-8(10-6-4-5-7-11(10)15(17,18)19)20-14(23)13-12(16)9(2)22(3)21-13/h4-8H,1-3H3,(H,20,23)
InChIKeyLWTHJDYWXCLECL-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.89
Rot. Bonds3

About 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 77080184) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID77080184
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)c2ccccc2C(F)(F)F)nn1C
InChIInChI=1S/C15H15ClF3N3O/c1-8(10-6-4-5-7-11(10)15(17,18)19)20-14(23)13-12(16)9(2)22(3)21-13/h4-8H,1-3H3,(H,20,23)
InChIKeyLWTHJDYWXCLECL-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747
1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 99950395
N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880599
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 154775116
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103907015

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (CID 77080184) is 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NC(C)c2ccccc2C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is LWTHJDYWXCLECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-8(10-6-4-5-7-11(10)15(17,18)19)20-14(23)13-12(16)9(2)22(3)21-13/h4-8H,1-3H3,(H,20,23).
What are the key properties of 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 345.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 77080184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).