N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H12ClF4N7O — CID 146285114

IUPACN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(N2N=CCN2)c(Cl)c1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F
InChIInChI=1S/C18H12ClF4N7O/c19-14-7-11(8-24-16(14)30-25-4-5-26-30)28-17(31)13-9-27-29(15(13)18(21,22)23)12-3-1-2-10(20)6-12/h1-4,6-9,26H,5H2,(H,28,31)
InChIKeyZUVUNKPTCMJKML-UHFFFAOYSA-N
MW453.79 g/mol
LogP3.64
Rot. Bonds4

About N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285114) has the molecular formula C18H12ClF4N7O and a molecular weight of 453.79 g/mol. Its IUPAC name is N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146285114
Molecular FormulaC18H12ClF4N7O
Molecular Weight453.79 g/mol
Exact Mass453.07
IUPAC NameN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(N2N=CCN2)c(Cl)c1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F
InChIInChI=1S/C18H12ClF4N7O/c19-14-7-11(8-24-16(14)30-25-4-5-26-30)28-17(31)13-9-27-29(15(13)18(21,22)23)12-3-1-2-10(20)6-12/h1-4,6-9,26H,5H2,(H,28,31)
InChIKeyZUVUNKPTCMJKML-UHFFFAOYSA-N
XLogP3.64
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.79
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285456
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90887523
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
1-(1,3-benzothiazol-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610120
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285198
[6-[4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamic acid
CID 134610250

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285114) is N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(N2N=CCN2)c(Cl)c1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZUVUNKPTCMJKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N7O/c19-14-7-11(8-24-16(14)30-25-4-5-26-30)28-17(31)13-9-27-29(15(13)18(21,22)23)12-3-1-2-10(20)6-12/h1-4,6-9,26H,5H2,(H,28,31).
What are the key properties of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 453.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).