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

C20H14ClN7O3 — CID 140670359

IUPACmethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C#N)nn1-c1ncccc1Cl
InChIInChI=1S/C20H14ClN7O3/c1-11-6-12(9-22)7-15(25-20(30)31-2)17(11)26-19(29)16-8-13(10-23)27-28(16)18-14(21)4-3-5-24-18/h3-8H,1-2H3,(H,25,30)(H,26,29)
InChIKeyGZZTWRGUOIYMRY-UHFFFAOYSA-N
MW435.83 g/mol
LogP3.40
Rot. Bonds4

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

methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (PubChem CID 140670359) has the molecular formula C20H14ClN7O3 and a molecular weight of 435.83 g/mol. Its IUPAC name is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
PubChem CID140670359
Molecular FormulaC20H14ClN7O3
Molecular Weight435.83 g/mol
Exact Mass435.08
IUPAC Namemethyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C#N)nn1-c1ncccc1Cl
InChIInChI=1S/C20H14ClN7O3/c1-11-6-12(9-22)7-15(25-20(30)31-2)17(11)26-19(29)16-8-13(10-23)27-28(16)18-14(21)4-3-5-24-18/h3-8H,1-2H3,(H,25,30)(H,26,29)
InChIKeyGZZTWRGUOIYMRY-UHFFFAOYSA-N
XLogP3.40
TPSA145.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-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-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670353
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670332
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrazole-5-carboxamide
CID 58057004
methylamino 2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoate
CID 151096234
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[2-(methylamino)-2-oxoethyl]phenyl]pyrazole-5-carboxamide
CID 123831656
[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]-ethylcarbamic acid
CID 122526088
amino-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoyl]azanide;dimethylazanide;yttrium
CID 145498242
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202277
[2-[3-chloro-5-[[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-1-yl]-3-pyridinyl]chloranium
CID 148669772
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[ethyl(methylamino)carbamoyl]-6-methylphenyl]pyrazole-5-carboxamide
CID 134562074

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate (CID 140670359) is methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is COC(=O)Nc1cc(C#N)cc(C)c1NC(=O)c1cc(C#N)nn1-c1ncccc1Cl.
What is the InChIKey of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
The InChIKey is GZZTWRGUOIYMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7O3/c1-11-6-12(9-22)7-15(25-20(30)31-2)17(11)26-19(29)16-8-13(10-23)27-28(16)18-14(21)4-3-5-24-18/h3-8H,1-2H3,(H,25,30)(H,26,29).
What are the key properties of methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate?
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate has a molecular weight of 435.83 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-cyanopyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate is sourced from PubChem (CID 140670359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).