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

C19H17Cl2N5O2S — CID 167452057

IUPACN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
SMILESCSCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(N)=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C19H17Cl2N5O2S/c1-10-6-11(20)7-13(17(22)27)16(10)24-19(28)15-8-12(9-29-2)25-26(15)18-14(21)4-3-5-23-18/h3-8H,9H2,1-2H3,(H2,22,27)(H,24,28)
InChIKeyAMHNNKBJXAPFQK-UHFFFAOYSA-N
MW450.35 g/mol
LogP4.10
Rot. Bonds6

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

N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide (PubChem CID 167452057) has the molecular formula C19H17Cl2N5O2S and a molecular weight of 450.35 g/mol. Its IUPAC name is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
PubChem CID167452057
Molecular FormulaC19H17Cl2N5O2S
Molecular Weight450.35 g/mol
Exact Mass449.05
IUPAC NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
SMILESCSCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(N)=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C19H17Cl2N5O2S/c1-10-6-11(20)7-13(17(22)27)16(10)24-19(28)15-8-12(9-29-2)25-26(15)18-14(21)4-3-5-23-18/h3-8H,9H2,1-2H3,(H2,22,27)(H,24,28)
InChIKeyAMHNNKBJXAPFQK-UHFFFAOYSA-N
XLogP4.10
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
CID 139231736
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-1-yl]methyl]pyrazole-5-carboxamide
CID 58507251
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[4-(2-chlorophenyl)triazol-1-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 58507136
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759
N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
CID 150740262
ethyl 5-[[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907334
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[4-(3-chlorophenyl)triazol-1-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 58507400
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide (CID 167452057) is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide is CSCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(N)=O)n(-c2ncccc2Cl)n1.
What is the InChIKey of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?
The InChIKey is AMHNNKBJXAPFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2S/c1-10-6-11(20)7-13(17(22)27)16(10)24-19(28)15-8-12(9-29-2)25-26(15)18-14(21)4-3-5-23-18/h3-8H,9H2,1-2H3,(H2,22,27)(H,24,28).
What are the key properties of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide has a molecular weight of 450.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167452057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).