1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H18N4O — CID 137375524

IUPAC1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H18N4O/c27-22(24-20-14-13-15-7-4-5-11-18(15)23-20)21-17-10-6-12-19(17)26(25-21)16-8-2-1-3-9-16/h1-5,7-9,11,13-14H,6,10,12H2,(H,23,24,27)
InChIKeyAWXNKYOWTJXEEV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.16
Rot. Bonds3

About 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 137375524) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID137375524
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H18N4O/c27-22(24-20-14-13-15-7-4-5-11-18(15)23-20)21-17-10-6-12-19(17)26(25-21)16-8-2-1-3-9-16/h1-5,7-9,11,13-14H,6,10,12H2,(H,23,24,27)
InChIKeyAWXNKYOWTJXEEV-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 137375524) is 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AWXNKYOWTJXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(24-20-14-13-15-7-4-5-11-18(15)23-20)21-17-10-6-12-19(17)26(25-21)16-8-2-1-3-9-16/h1-5,7-9,11,13-14H,6,10,12H2,(H,23,24,27).
What are the key properties of 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 137375524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).