(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid

C17H18N2O2 — CID 14576198

IUPAC(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid
SMILESO=C(O)CC/C=C\c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H18N2O2/c20-17(21)12-5-4-10-15-14-9-6-11-16(14)19(18-15)13-7-2-1-3-8-13/h1-4,7-8,10H,5-6,9,11-12H2,(H,20,21)/b10-4-
InChIKeyLODUVZGQRRMDJF-WMZJFQQLSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds5

About (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid

(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid (PubChem CID 14576198) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid
PubChem CID14576198
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid
SMILESO=C(O)CC/C=C\c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C17H18N2O2/c20-17(21)12-5-4-10-15-14-9-6-11-16(14)19(18-15)13-7-2-1-3-8-13/h1-4,7-8,10H,5-6,9,11-12H2,(H,20,21)/b10-4-
InChIKeyLODUVZGQRRMDJF-WMZJFQQLSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid?
The IUPAC name of (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid (CID 14576198) is (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid.
What is the SMILES notation for (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid?
The canonical SMILES for (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid is O=C(O)CC/C=C\c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid?
The InChIKey is LODUVZGQRRMDJF-WMZJFQQLSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(21)12-5-4-10-15-14-9-6-11-16(14)19(18-15)13-7-2-1-3-8-13/h1-4,7-8,10H,5-6,9,11-12H2,(H,20,21)/b10-4-.
What are the key properties of (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid?
(Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)pent-4-enoic acid is sourced from PubChem (CID 14576198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).