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

C19H15ClF3N7OS — CID 146285456

IUPACN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCSc1cccc(-n2ncc(C(=O)Nc3cnc(N4N=CCN4)c(Cl)c3)c2C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N7OS/c1-32-13-4-2-3-12(8-13)29-16(19(21,22)23)14(10-27-29)18(31)28-11-7-15(20)17(24-9-11)30-25-5-6-26-30/h2-5,7-10,26H,6H2,1H3,(H,28,31)
InChIKeyMWEINDDUXUURLF-UHFFFAOYSA-N
MW481.89 g/mol
LogP4.22
Rot. Bonds5

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

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285456) has the molecular formula C19H15ClF3N7OS and a molecular weight of 481.89 g/mol. Its IUPAC name is N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146285456
Molecular FormulaC19H15ClF3N7OS
Molecular Weight481.89 g/mol
Exact Mass481.07
IUPAC NameN-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCSc1cccc(-n2ncc(C(=O)Nc3cnc(N4N=CCN4)c(Cl)c3)c2C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N7OS/c1-32-13-4-2-3-12(8-13)29-16(19(21,22)23)14(10-27-29)18(31)28-11-7-15(20)17(24-9-11)30-25-5-6-26-30/h2-5,7-10,26H,6H2,1H3,(H,28,31)
InChIKeyMWEINDDUXUURLF-UHFFFAOYSA-N
XLogP4.22
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285114
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-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
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-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285198
1-(6-amino-5-fluoro-3-methyl-2-pyridinyl)-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285551
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
1-(1,3-benzothiazol-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610120
2-amino-6-[4-[[5-chloro-6-(1,5-dihydrotriazol-2-yl)-2-methyl-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 153377429
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285456) is N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CSc1cccc(-n2ncc(C(=O)Nc3cnc(N4N=CCN4)c(Cl)c3)c2C(F)(F)F)c1.
What is the InChIKey of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MWEINDDUXUURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7OS/c1-32-13-4-2-3-12(8-13)29-16(19(21,22)23)14(10-27-29)18(31)28-11-7-15(20)17(24-9-11)30-25-5-6-26-30/h2-5,7-10,26H,6H2,1H3,(H,28,31).
What are the key properties of N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)-3-pyridinyl]-1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 481.89 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).