N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide

C17H9F4N5O — CID 54127536

IUPACN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide
SMILESN#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2cccnc2F)cc1
InChIInChI=1S/C17H9F4N5O/c18-15-13(2-1-7-23-15)16(27)24-10-3-5-11(6-4-10)26-12(9-22)8-14(25-26)17(19,20)21/h1-8H,(H,24,27)
InChIKeyNSASFMNURYHKNH-UHFFFAOYSA-N
MW375.29 g/mol
LogP3.55
Rot. Bonds3

About N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide

N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide (PubChem CID 54127536) 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]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide
PubChem CID54127536
Molecular FormulaC17H9F4N5O
Molecular Weight375.29 g/mol
Exact Mass375.07
IUPAC NameN-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide
SMILESN#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2cccnc2F)cc1
InChIInChI=1S/C17H9F4N5O/c18-15-13(2-1-7-23-15)16(27)24-10-3-5-11(6-4-10)26-12(9-22)8-14(25-26)17(19,20)21/h1-8H,(H,24,27)
InChIKeyNSASFMNURYHKNH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 44589011
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2,4,5-trifluorobenzamide
CID 54061295
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4,5-trifluorobenzamide
CID 54472602
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 168524264
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35761971

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide (CID 54127536) is N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide is N#Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2cccnc2F)cc1.
What is the InChIKey of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is NSASFMNURYHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N5O/c18-15-13(2-1-7-23-15)16(27)24-10-3-5-11(6-4-10)26-12(9-22)8-14(25-26)17(19,20)21/h1-8H,(H,24,27).
What are the key properties of N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-carboxamide?
N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoropyridine-3-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]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 54127536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).