3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C21H20Cl2N6O3 — CID 50905436

IUPAC3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CNC(C)=O)nn1-c1ncccc1Cl
InChIInChI=1S/C21H20Cl2N6O3/c1-11-7-13(22)8-15(20(31)24-3)18(11)27-21(32)17-9-14(10-26-12(2)30)28-29(17)19-16(23)5-4-6-25-19/h4-9H,10H2,1-3H3,(H,24,31)(H,26,30)(H,27,32)
InChIKeyLMBDSULDALWCDG-UHFFFAOYSA-N
MW475.34 g/mol
LogP3.13
Rot. Bonds6

About 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 50905436) has the molecular formula C21H20Cl2N6O3 and a molecular weight of 475.34 g/mol. Its IUPAC name is 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID50905436
Molecular FormulaC21H20Cl2N6O3
Molecular Weight475.34 g/mol
Exact Mass474.10
IUPAC Name3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CNC(C)=O)nn1-c1ncccc1Cl
InChIInChI=1S/C21H20Cl2N6O3/c1-11-7-13(22)8-15(20(31)24-3)18(11)27-21(32)17-9-14(10-26-12(2)30)28-29(17)19-16(23)5-4-6-25-19/h4-9H,10H2,1-3H3,(H,24,31)(H,26,30)(H,27,32)
InChIKeyLMBDSULDALWCDG-UHFFFAOYSA-N
XLogP3.13
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide
CID 58507291
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-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(5-nitrobenzotriazol-2-yl)methyl]pyrazole-5-carboxamide
CID 53492622
5-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-N-[4-(trifluoromethyl)phenyl]pyrazole-3,5-dicarboxamide
CID 58057053
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
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
CID 167452057
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 143049906
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
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

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 50905436) is 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CNC(C)=O)nn1-c1ncccc1Cl.
What is the InChIKey of 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is LMBDSULDALWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O3/c1-11-7-13(22)8-15(20(31)24-3)18(11)27-21(32)17-9-14(10-26-12(2)30)28-29(17)19-16(23)5-4-6-25-19/h4-9H,10H2,1-3H3,(H,24,31)(H,26,30)(H,27,32).
What are the key properties of 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 475.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50905436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).