N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide

C17H9ClF6N4O — CID 44589036

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Cl)c1
InChIInChI=1S/C17H9ClF6N4O/c18-10-5-9(7-25-8-10)15(29)26-11-1-3-12(4-2-11)28-14(17(22,23)24)6-13(27-28)16(19,20)21/h1-8H,(H,26,29)
InChIKeyGHMCSEGAQKLUMX-UHFFFAOYSA-N
MW434.73 g/mol
LogP5.21
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide (PubChem CID 44589036) has the molecular formula C17H9ClF6N4O and a molecular weight of 434.73 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide
PubChem CID44589036
Molecular FormulaC17H9ClF6N4O
Molecular Weight434.73 g/mol
Exact Mass434.04
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Cl)c1
InChIInChI=1S/C17H9ClF6N4O/c18-10-5-9(7-25-8-10)15(29)26-11-1-3-12(4-2-11)28-14(17(22,23)24)6-13(27-28)16(19,20)21/h1-8H,(H,26,29)
InChIKeyGHMCSEGAQKLUMX-UHFFFAOYSA-N
XLogP5.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.73
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46175112
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
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
1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 5-phenylamide 3-[(pyridin-3-ylmethyl)-amide]
CID 10048413
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-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide (CID 44589036) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Cl)c1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide?
The InChIKey is GHMCSEGAQKLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF6N4O/c18-10-5-9(7-25-8-10)15(29)26-11-1-3-12(4-2-11)28-14(17(22,23)24)6-13(27-28)16(19,20)21/h1-8H,(H,26,29).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide has a molecular weight of 434.73 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 44589036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).