N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

C17H9F4N5O — CID 10809455

IUPACN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C17H9F4N5O/c18-14-9-23-6-5-13(14)16(27)24-10-1-3-11(4-2-10)26-12(8-22)7-15(25-26)17(19,20)21/h1-7,9H,(H,24,27)
InChIKeyZQGMSMPOFXNURM-UHFFFAOYSA-N
MW375.29 g/mol
LogP3.55
Rot. Bonds3

About N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 10809455) has the molecular formula C17H9F4N5O and a molecular weight of 375.29 g/mol. Its IUPAC name is N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID10809455
Molecular FormulaC17H9F4N5O
Molecular Weight375.29 g/mol
Exact Mass375.07
IUPAC NameN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C17H9F4N5O/c18-14-9-23-6-5-13(14)16(27)24-10-1-3-11(4-2-10)26-12(8-22)7-15(25-26)17(19,20)21/h1-7,9H,(H,24,27)
InChIKeyZQGMSMPOFXNURM-UHFFFAOYSA-N
XLogP3.55
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 53.55
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
N-[4-(4-bromo-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 6463138
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 23723986
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]pyridine-4-carboxamide
CID 9843907
4,6-Dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide
CID 9888801
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-chloropyridine-3-carboxamide
CID 10137808
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-[4-[3-(Trifluoromethyl)-5-(methylthio)-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10524777
3-fluoro-N-[4-[5-nitro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 10548702
N-[4-[3-(Trifluoromethyl)-5-bromo-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10646229
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (CID 10809455) is N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is N#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is ZQGMSMPOFXNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N5O/c18-14-9-23-6-5-13(14)16(27)24-10-1-3-11(4-2-10)26-12(8-22)7-15(25-26)17(19,20)21/h1-7,9H,(H,24,27).
What are the key properties of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 375.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 10809455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).