N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide

C19H13ClF3N5O — CID 55608304

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#N)c(C)n2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H13ClF3N5O/c1-10-7-17(26-18(29)15-6-3-12(9-24)11(2)25-15)28(27-10)16-8-13(19(21,22)23)4-5-14(16)20/h3-8H,1-2H3,(H,26,29)
InChIKeyGCHSKKLPYRPLBA-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.68
Rot. Bonds3

About N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide (PubChem CID 55608304) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide
PubChem CID55608304
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C#N)c(C)n2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H13ClF3N5O/c1-10-7-17(26-18(29)15-6-3-12(9-24)11(2)25-15)28(27-10)16-8-13(19(21,22)23)4-5-14(16)20/h3-8H,1-2H3,(H,26,29)
InChIKeyGCHSKKLPYRPLBA-UHFFFAOYSA-N
XLogP4.68
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871616
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 2330110
N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78837959
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-propan-2-ylsulfonylbenzamide
CID 112822149
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2328097
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167868868
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 112814363
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55519908
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 55668477
3-acetamido-N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 55520113
methyl 5-acetyl-2-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 71685534
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide (CID 55608304) is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The InChIKey is GCHSKKLPYRPLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c1-10-7-17(26-18(29)15-6-3-12(9-24)11(2)25-15)28(27-10)16-8-13(19(21,22)23)4-5-14(16)20/h3-8H,1-2H3,(H,26,29).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide has a molecular weight of 419.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 55608304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).