N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide

C19H16Cl2F3N5O2 — CID 170212322

IUPACN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(N)=O)c1NC(=O)C1=CC(C(F)(F)F)N(C)N1c1ncccc1Cl
InChIInChI=1S/C19H16Cl2F3N5O2/c1-9-6-10(20)7-11(16(25)30)15(9)27-18(31)13-8-14(19(22,23)24)28(2)29(13)17-12(21)4-3-5-26-17/h3-8,14H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyIUHOKFOZAZABPU-UHFFFAOYSA-N
MW474.27 g/mol
LogP3.92
Rot. Bonds4

About N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide

N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide (PubChem CID 170212322) has the molecular formula C19H16Cl2F3N5O2 and a molecular weight of 474.27 g/mol. Its IUPAC name is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide
PubChem CID170212322
Molecular FormulaC19H16Cl2F3N5O2
Molecular Weight474.27 g/mol
Exact Mass473.06
IUPAC NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(N)=O)c1NC(=O)C1=CC(C(F)(F)F)N(C)N1c1ncccc1Cl
InChIInChI=1S/C19H16Cl2F3N5O2/c1-9-6-10(20)7-11(16(25)30)15(9)27-18(31)13-8-14(19(22,23)24)28(2)29(13)17-12(21)4-3-5-26-17/h3-8,14H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyIUHOKFOZAZABPU-UHFFFAOYSA-N
XLogP3.92
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide (CID 170212322) is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(N)=O)c1NC(=O)C1=CC(C(F)(F)F)N(C)N1c1ncccc1Cl.
What is the InChIKey of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide?
The InChIKey is IUHOKFOZAZABPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N5O2/c1-9-6-10(20)7-11(16(25)30)15(9)27-18(31)13-8-14(19(22,23)24)28(2)29(13)17-12(21)4-3-5-26-17/h3-8,14H,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide?
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide has a molecular weight of 474.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide is sourced from PubChem (CID 170212322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).