3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

C17H12F4N4O2 — CID 10619742

IUPAC3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C17H12F4N4O2/c1-27-15-8-14(17(19,20)21)24-25(15)11-4-2-10(3-5-11)23-16(26)12-6-7-22-9-13(12)18/h2-9H,1H3,(H,23,26)
InChIKeyHMSYPBPTGFSOMB-UHFFFAOYSA-N
MW380.30 g/mol
LogP3.69
Rot. Bonds4

About 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 10619742) has the molecular formula C17H12F4N4O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID10619742
Molecular FormulaC17H12F4N4O2
Molecular Weight380.30 g/mol
Exact Mass380.09
IUPAC Name3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C17H12F4N4O2/c1-27-15-8-14(17(19,20)21)24-25(15)11-4-2-10(3-5-11)23-16(26)12-6-7-22-9-13(12)18/h2-9H,1H3,(H,23,26)
InChIKeyHMSYPBPTGFSOMB-UHFFFAOYSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]pyridine-4-carboxamide
CID 9843907
NFAT Transcription Factor Regulator
CID 9931706
N-[4-[3-(Trifluoromethyl)-5-methoxy-1H-pyrazole-1-yl]phenyl]-2-fluorobenzamide
CID 11794090
US11180484, Example 6
CID 139301871
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431899
1-(2-(pyridin-4-yl)ethyl)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431900
N-(4-(chlorodifluoromethoxy)phenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431901
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
CID 44588987
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 44589011
3-methyl-1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431915

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (CID 10619742) is 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is COc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is HMSYPBPTGFSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O2/c1-27-15-8-14(17(19,20)21)24-25(15)11-4-2-10(3-5-11)23-16(26)12-6-7-22-9-13(12)18/h2-9H,1H3,(H,23,26).
What are the key properties of 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10619742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).