methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate

C20H14ClF3N6O3 — CID 140670332

IUPACmethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H14ClF3N6O3/c1-10-6-11(9-25)7-13(27-19(32)33-2)16(10)28-18(31)14-8-15(20(22,23)24)29-30(14)17-12(21)4-3-5-26-17/h3-8H,1-2H3,(H,27,32)(H,28,31)
InChIKeyAPLSPISNOVSGFG-UHFFFAOYSA-N
MW478.82 g/mol
LogP4.55
Rot. Bonds4

About methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate

methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (PubChem CID 140670332) has the molecular formula C20H14ClF3N6O3 and a molecular weight of 478.82 g/mol. Its IUPAC name is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
PubChem CID140670332
Molecular FormulaC20H14ClF3N6O3
Molecular Weight478.82 g/mol
Exact Mass478.08
IUPAC Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H14ClF3N6O3/c1-10-6-11(9-25)7-13(27-19(32)33-2)16(10)28-18(31)14-8-15(20(22,23)24)29-30(14)17-12(21)4-3-5-26-17/h3-8H,1-2H3,(H,27,32)(H,28,31)
InChIKeyAPLSPISNOVSGFG-UHFFFAOYSA-N
XLogP4.55
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670359
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670353
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 152573475
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
N-[4-chloro-2-(N-cyano-S-methylsulfinimidoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139396831
N-(4-chloro-2-methyl-6-methylsulfinylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139391840
amino-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3,5-dimethylbenzoyl]azanide;ethane;methanol;yttrium
CID 145498277
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58899289
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
[2-[[1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]-methylcarbamic acid
CID 122526089

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (CID 140670332) is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is COC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The InChIKey is APLSPISNOVSGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O3/c1-10-6-11(9-25)7-13(27-19(32)33-2)16(10)28-18(31)14-8-15(20(22,23)24)29-30(14)17-12(21)4-3-5-26-17/h3-8H,1-2H3,(H,27,32)(H,28,31).
What are the key properties of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate has a molecular weight of 478.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is sourced from PubChem (CID 140670332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).