N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H15F3N4O2 — CID 87008414

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N4O2/c1-23-8-12(13(22-23)16(17,18)19)15(25)21-11-4-2-3-9(7-11)14(24)20-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,20,24)(H,21,25)
InChIKeyMZVKLOWGFPYZSN-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.58
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008414) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008414
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N4O2/c1-23-8-12(13(22-23)16(17,18)19)15(25)21-11-4-2-3-9(7-11)14(24)20-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,20,24)(H,21,25)
InChIKeyMZVKLOWGFPYZSN-UHFFFAOYSA-N
XLogP2.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethynylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008609
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-acetamido-N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 163399498
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
1-(3-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465797
1-(4-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46691330
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008593

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008414) is N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)n1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MZVKLOWGFPYZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-23-8-12(13(22-23)16(17,18)19)15(25)21-11-4-2-3-9(7-11)14(24)20-10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).