1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

C14H14F3N3O2 — CID 19281518

IUPAC1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8-12(9(2)20(3)19-8)13(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7H,1-3H3,(H,18,21)
InChIKeyJPQYYNFUJFKDIY-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.19
Rot. Bonds3

About 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 19281518) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID19281518
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8-12(9(2)20(3)19-8)13(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7H,1-3H3,(H,18,21)
InChIKeyJPQYYNFUJFKDIY-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
ethyl 3,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate
CID 23646848
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 19281518) is 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is JPQYYNFUJFKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-12(9(2)20(3)19-8)13(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7H,1-3H3,(H,18,21).
What are the key properties of 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19281518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).