N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide

C20H19Cl2N5O2 — CID 143049906

IUPACN-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCCc1cc(Cl)cc(C(=O)NC)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H19Cl2N5O2/c1-4-12-9-13(21)10-14(19(28)23-3)17(12)25-20(29)16-8-11(2)26-27(16)18-15(22)6-5-7-24-18/h5-10H,4H2,1-3H3,(H,23,28)(H,25,29)
InChIKeyUWLXWEXBXXAMLA-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.06
Rot. Bonds5

About N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide

N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (PubChem CID 143049906) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
PubChem CID143049906
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC NameN-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCCc1cc(Cl)cc(C(=O)NC)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H19Cl2N5O2/c1-4-12-9-13(21)10-14(19(28)23-3)17(12)25-20(29)16-8-11(2)26-27(16)18-15(22)6-5-7-24-18/h5-10H,4H2,1-3H3,(H,23,28)(H,25,29)
InChIKeyUWLXWEXBXXAMLA-UHFFFAOYSA-N
XLogP4.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202285
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202262
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
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-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759
4-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-ethylpyrrole-2-carboxamide
CID 170206423
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
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

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (CID 143049906) is N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is CCc1cc(Cl)cc(C(=O)NC)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl.
What is the InChIKey of N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is UWLXWEXBXXAMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-4-12-9-13(21)10-14(19(28)23-3)17(12)25-20(29)16-8-11(2)26-27(16)18-15(22)6-5-7-24-18/h5-10H,4H2,1-3H3,(H,23,28)(H,25,29).
What are the key properties of N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 143049906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).