2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

C22H22ClN5O3 — CID 58202337

IUPAC2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C22H22ClN5O3/c1-12-8-13(2)19(16(9-12)21(30)25-11-15(4)29)26-22(31)18-10-14(3)27-28(18)20-17(23)6-5-7-24-20/h5-10H,11H2,1-4H3,(H,25,30)(H,26,31)
InChIKeySOKKITHJDKTXMG-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.42
Rot. Bonds6

About 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 58202337) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID58202337
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C22H22ClN5O3/c1-12-8-13(2)19(16(9-12)21(30)25-11-15(4)29)26-22(31)18-10-14(3)27-28(18)20-17(23)6-5-7-24-20/h5-10H,11H2,1-4H3,(H,25,30)(H,26,31)
InChIKeySOKKITHJDKTXMG-UHFFFAOYSA-N
XLogP3.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
N-[4-chloro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202277
methyl 2-[[2-[[2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58202388
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-nitro-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202420
5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 58202359
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 143049906
2-[[2-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]acetyl]amino]acetic acid
CID 146015219
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202285
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 58202337) is 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is CC(=O)CNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is SOKKITHJDKTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-12-8-13(2)19(16(9-12)21(30)25-11-15(4)29)26-22(31)18-10-14(3)27-28(18)20-17(23)6-5-7-24-20/h5-10H,11H2,1-4H3,(H,25,30)(H,26,31).
What are the key properties of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 439.90 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58202337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).