3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide

C18H13Cl2N5O3S — CID 139400912

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(S(C)(=O)=O)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C18H13Cl2N5O3S/c1-10-6-11(9-21)7-14(29(2,27)28)16(10)23-18(26)13-8-15(20)24-25(13)17-12(19)4-3-5-22-17/h3-8H,1-2H3,(H,23,26)
InChIKeySCOHSRILGOTQMH-UHFFFAOYSA-N
MW450.31 g/mol
LogP3.41
Rot. Bonds4

About 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide

3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide (PubChem CID 139400912) has the molecular formula C18H13Cl2N5O3S and a molecular weight of 450.31 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
PubChem CID139400912
Molecular FormulaC18H13Cl2N5O3S
Molecular Weight450.31 g/mol
Exact Mass449.01
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(S(C)(=O)=O)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C18H13Cl2N5O3S/c1-10-6-11(9-21)7-14(29(2,27)28)16(10)23-18(26)13-8-15(20)24-25(13)17-12(19)4-3-5-22-17/h3-8H,1-2H3,(H,23,26)
InChIKeySCOHSRILGOTQMH-UHFFFAOYSA-N
XLogP3.41
TPSA117.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide 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
[2-[3-chloro-5-[[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-1-yl]-3-pyridinyl]chloranium
CID 148669772
methylamino 2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoate
CID 151096234
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670332
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
3-bromo-N-[2-(N-bromo-S-methylsulfonimidoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 151227796
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 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide (CID 139400912) is 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide is Cc1cc(C#N)cc(S(C)(=O)=O)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide?
The InChIKey is SCOHSRILGOTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O3S/c1-10-6-11(9-21)7-14(29(2,27)28)16(10)23-18(26)13-8-15(20)24-25(13)17-12(19)4-3-5-22-17/h3-8H,1-2H3,(H,23,26).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide?
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide has a molecular weight of 450.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 139400912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).