[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate

C17H10F6N4O3 — CID 87446039

IUPAC[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate
SMILESO=C(Nc1ccncc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10F6N4O3/c18-16(19,20)14-13(29-15(28)26-10-5-7-24-8-6-10)9-25-27(14)11-1-3-12(4-2-11)30-17(21,22)23/h1-9H,(H,24,26,28)
InChIKeyGXXMZCMJTJQMNU-UHFFFAOYSA-N
MW432.28 g/mol
LogP4.80
Rot. Bonds4

About [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate

[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate (PubChem CID 87446039) has the molecular formula C17H10F6N4O3 and a molecular weight of 432.28 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate
PubChem CID87446039
Molecular FormulaC17H10F6N4O3
Molecular Weight432.28 g/mol
Exact Mass432.07
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate
SMILESO=C(Nc1ccncc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H10F6N4O3/c18-16(19,20)14-13(29-15(28)26-10-5-7-24-8-6-10)9-25-27(14)11-1-3-12(4-2-11)30-17(21,22)23/h1-9H,(H,24,26,28)
InChIKeyGXXMZCMJTJQMNU-UHFFFAOYSA-N
XLogP4.80
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
CID 87445957
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 75429394
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
CID 87445596
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 87445312
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine
CID 159972267
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 155548457
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(2,4,6-triethyl-3-nitrophenyl)carbamate
CID 87446605
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate (CID 87446039) is [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate is O=C(Nc1ccncc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate?
The InChIKey is GXXMZCMJTJQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O3/c18-16(19,20)14-13(29-15(28)26-10-5-7-24-8-6-10)9-25-27(14)11-1-3-12(4-2-11)30-17(21,22)23/h1-9H,(H,24,26,28).
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate?
[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate has a molecular weight of 432.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate is sourced from PubChem (CID 87446039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).