4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide

C13H14ClN3O2 — CID 6465441

IUPAC4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C13H14ClN3O2/c1-8-4-5-11(19-3)10(6-8)16-13(18)12-9(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18)
InChIKeyIIBNVYPQKCVSHE-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 6465441) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID6465441
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C13H14ClN3O2/c1-8-4-5-11(19-3)10(6-8)16-13(18)12-9(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18)
InChIKeyIIBNVYPQKCVSHE-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 5410779
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
6-amino-5-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153220
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide (CID 6465441) is 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is IIBNVYPQKCVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-4-5-11(19-3)10(6-8)16-13(18)12-9(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6465441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).