5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C20H17Cl2F3N4O2 — CID 46400897

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H17Cl2F3N4O2/c1-12-16(17(22)29(28-12)10-14-5-2-3-7-15(14)21)18(30)27-9-13-6-4-8-26-19(13)31-11-20(23,24)25/h2-8H,9-11H2,1H3,(H,27,30)
InChIKeyQWBKNUGYQXWJOU-UHFFFAOYSA-N
MW473.28 g/mol
LogP4.81
Rot. Bonds7

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 46400897) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID46400897
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H17Cl2F3N4O2/c1-12-16(17(22)29(28-12)10-14-5-2-3-7-15(14)21)18(30)27-9-13-6-4-8-26-19(13)31-11-20(23,24)25/h2-8H,9-11H2,1H3,(H,27,30)
InChIKeyQWBKNUGYQXWJOU-UHFFFAOYSA-N
XLogP4.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792
1-benzyl-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 112819675
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34558813
5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55859126
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 35806096
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 46400897) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is QWBKNUGYQXWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c1-12-16(17(22)29(28-12)10-14-5-2-3-7-15(14)21)18(30)27-9-13-6-4-8-26-19(13)31-11-20(23,24)25/h2-8H,9-11H2,1H3,(H,27,30).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 473.28 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46400897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).