N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H16ClF3N4O2 — CID 20732324

IUPACN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H16ClF3N4O2/c1-8(2)21-14(25)9-5-4-6-10(17)13(9)22-15(26)11-7-12(16(18,19)20)23-24(11)3/h4-8H,1-3H3,(H,21,25)(H,22,26)
InChIKeyMWTAPJIFZRDIML-UHFFFAOYSA-N
MW388.78 g/mol
LogP3.48
Rot. Bonds4

About N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 20732324) has the molecular formula C16H16ClF3N4O2 and a molecular weight of 388.78 g/mol. Its IUPAC name is N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID20732324
Molecular FormulaC16H16ClF3N4O2
Molecular Weight388.78 g/mol
Exact Mass388.09
IUPAC NameN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H16ClF3N4O2/c1-8(2)21-14(25)9-5-4-6-10(17)13(9)22-15(26)11-7-12(16(18,19)20)23-24(11)3/h4-8H,1-3H3,(H,21,25)(H,22,26)
InChIKeyMWTAPJIFZRDIML-UHFFFAOYSA-N
XLogP3.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 20732324) is N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MWTAPJIFZRDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O2/c1-8(2)21-14(25)9-5-4-6-10(17)13(9)22-15(26)11-7-12(16(18,19)20)23-24(11)3/h4-8H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 388.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 20732324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).