1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H15ClFN3O2 — CID 166343753

IUPAC1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2
InChIInChI=1S/C19H15ClFN3O2/c20-11-8-9-16(13(21)10-11)24-15-6-3-4-12(15)18(23-24)19(26)22-14-5-1-2-7-17(14)25/h1-2,5,7-10,25H,3-4,6H2,(H,22,26)
InChIKeyUUUMTJQDACIWIG-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 166343753) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID166343753
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2
InChIInChI=1S/C19H15ClFN3O2/c20-11-8-9-16(13(21)10-11)24-15-6-3-4-12(15)18(23-24)19(26)22-14-5-1-2-7-17(14)25/h1-2,5,7-10,25H,3-4,6H2,(H,22,26)
InChIKeyUUUMTJQDACIWIG-UHFFFAOYSA-N
XLogP4.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39286728
1-(4-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287059
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108
1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688233
methyl 4-fluoro-3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]benzoate
CID 78873460
1-(2,4-dichlorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932377
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39416892
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(2-aminoethyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382850
N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
N-(3-acetylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39040435

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 166343753) is 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1ccccc1O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UUUMTJQDACIWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-11-8-9-16(13(21)10-11)24-15-6-3-4-12(15)18(23-24)19(26)22-14-5-1-2-7-17(14)25/h1-2,5,7-10,25H,3-4,6H2,(H,22,26).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 166343753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).