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

C18H15Cl2N5O2 — CID 58202262

IUPACN-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-10-8-15(25(24-10)16-13(20)4-3-7-22-16)18(27)23-14-9-11(19)5-6-12(14)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,23,27)
InChIKeyOMQGPKZLRIUDHZ-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.49
Rot. Bonds4

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

N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (PubChem CID 58202262) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
PubChem CID58202262
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC NameN-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-10-8-15(25(24-10)16-13(20)4-3-7-22-16)18(27)23-14-9-11(19)5-6-12(14)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,23,27)
InChIKeyOMQGPKZLRIUDHZ-UHFFFAOYSA-N
XLogP3.49
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
CID 145498197
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
methyl 2-[[2-[[2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58202388

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide (CID 58202262) is N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is CNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C)nn1-c1ncccc1Cl.
What is the InChIKey of N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is OMQGPKZLRIUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c1-10-8-15(25(24-10)16-13(20)4-3-7-22-16)18(27)23-14-9-11(19)5-6-12(14)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,23,27).
What are the key properties of N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide?
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).