N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

C15H15ClFN3O2 — CID 138021786

IUPACN-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(F)cc1NC(=O)c1c2c(nn1C)CCC2
InChIInChI=1S/C15H15ClFN3O2/c1-20-14(8-4-3-5-11(8)19-20)15(21)18-12-7-10(17)9(16)6-13(12)22-2/h6-7H,3-5H2,1-2H3,(H,18,21)
InChIKeyOHEZUQUYZLIGHG-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.96
Rot. Bonds3

About N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (PubChem CID 138021786) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
PubChem CID138021786
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC NameN-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(F)cc1NC(=O)c1c2c(nn1C)CCC2
InChIInChI=1S/C15H15ClFN3O2/c1-20-14(8-4-3-5-11(8)19-20)15(21)18-12-7-10(17)9(16)6-13(12)22-2/h6-7H,3-5H2,1-2H3,(H,18,21)
InChIKeyOHEZUQUYZLIGHG-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
N-(4-chloro-5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136567294
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
2-methyl-N-(2-phenylquinolin-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CID 167896121
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
CID 15135402
5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
CID 91819365
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CID 27378314
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (CID 138021786) is N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is COc1cc(Cl)c(F)cc1NC(=O)c1c2c(nn1C)CCC2.
What is the InChIKey of N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is OHEZUQUYZLIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-20-14(8-4-3-5-11(8)19-20)15(21)18-12-7-10(17)9(16)6-13(12)22-2/h6-7H,3-5H2,1-2H3,(H,18,21).
What are the key properties of N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-fluoro-2-methoxyphenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 138021786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).