phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate

C16H10F4N4O2 — CID 58267910

IUPACphenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)nn1-c1cncc(F)c1)Oc1ccccc1
InChIInChI=1S/C16H10F4N4O2/c17-10-6-11(9-21-8-10)24-14(7-13(23-24)16(18,19)20)22-15(25)26-12-4-2-1-3-5-12/h1-9H,(H,22,25)
InChIKeyHMLLNLJEAYLGGZ-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.04
Rot. Bonds3

About phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate

phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate (PubChem CID 58267910) has the molecular formula C16H10F4N4O2 and a molecular weight of 366.27 g/mol. Its IUPAC name is phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
PubChem CID58267910
Molecular FormulaC16H10F4N4O2
Molecular Weight366.27 g/mol
Exact Mass366.07
IUPAC Namephenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)nn1-c1cncc(F)c1)Oc1ccccc1
InChIInChI=1S/C16H10F4N4O2/c17-10-6-11(9-21-8-10)24-14(7-13(23-24)16(18,19)20)22-15(25)26-12-4-2-1-3-5-12/h1-9H,(H,22,25)
InChIKeyHMLLNLJEAYLGGZ-UHFFFAOYSA-N
XLogP4.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamate
CID 162663380
N-[(2,6-difluoro-4-methoxyphenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 71086613
1-[4-(2-Amino-pyridin-4-yloxy)-2-fluoro-phenyl]-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 118102585
1-[5-Tert-but yl-2-(3-fluorophenyl)pyrazol-3-yl]-3-[2-fluoro-4-(4-pyridyloxy)phenyl]urea
CID 141209830
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[2-fluoro-4-(pyridin-4-yloxy)-phenyl]-urea
CID 147225342
Phenyl [6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl]carbamate
CID 153524531
N-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 2816307
1-(5-methoxypyridin-2-yl)-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 117968108
methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 135031327
1-[(4-fluorophenoxy)methyl]-N-(6-methylpyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 19580370
1-[6-(2,2-Difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
CID 86793556
1-[4-[(2-Amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 16730957

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate (CID 58267910) is phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate is O=C(Nc1cc(C(F)(F)F)nn1-c1cncc(F)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The InChIKey is HMLLNLJEAYLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4O2/c17-10-6-11(9-21-8-10)24-14(7-13(23-24)16(18,19)20)22-15(25)26-12-4-2-1-3-5-12/h1-9H,(H,22,25).
What are the key properties of phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate has a molecular weight of 366.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 58267910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).