3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C16H18N2 — CID 659318

IUPAC3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3ccccc3)c2C1
InChIInChI=1S/C16H18N2/c1-11(2)13-9-15-12(3)17-18(16(15)10-13)14-7-5-4-6-8-14/h4-8,13H,1,9-10H2,2-3H3
InChIKeyOFEUDAGWZKZKMM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.47
Rot. Bonds2

About 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 659318) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID659318
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3ccccc3)c2C1
InChIInChI=1S/C16H18N2/c1-11(2)13-9-15-12(3)17-18(16(15)10-13)14-7-5-4-6-8-14/h4-8,13H,1,9-10H2,2-3H3
InChIKeyOFEUDAGWZKZKMM-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
Cyto2A7
CID 2802803
3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 3741560
1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 11507630
1,3-Diphenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
CID 15453872
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
3-Pentyl-1,5-diphenylpyrazole
CID 71583291
1,3-Diphenyl-1,4,5,6-tetrahydro-cyclopentapyrazole
CID 15453869

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 659318) is 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is C=C(C)C1Cc2c(C)nn(-c3ccccc3)c2C1.
What is the InChIKey of 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is OFEUDAGWZKZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11(2)13-9-15-12(3)17-18(16(15)10-13)14-7-5-4-6-8-14/h4-8,13H,1,9-10H2,2-3H3.
What are the key properties of 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 238.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 659318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).