7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol

C15H18N2O — CID 64986776

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2Cc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)14/h3-6,9-10,14-15,18H,2,7-8H2,1H3
InChIKeyCWERBWYDBHPBFC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.67
Rot. Bonds4

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol (PubChem CID 64986776) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
PubChem CID64986776
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2Cc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)14/h3-6,9-10,14-15,18H,2,7-8H2,1H3
InChIKeyCWERBWYDBHPBFC-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 64984224
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 103572684
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 64984223
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103456
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol (CID 64986776) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2Cc3ccccc32)cn1.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is CWERBWYDBHPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)14/h3-6,9-10,14-15,18H,2,7-8H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 242.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 64986776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).