1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C15H18N2O — CID 103008155

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2Cc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-17-10-11(9-16-17)6-7-15(18)14-8-12-4-2-3-5-13(12)14/h2-5,9-10,14-15,18H,6-8H2,1H3
InChIKeyVMQBLTPWUNHJLV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.05
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103008155) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103008155
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2Cc3ccccc32)cn1
InChIInChI=1S/C15H18N2O/c1-17-10-11(9-16-17)6-7-15(18)14-8-12-4-2-3-5-13(12)14/h2-5,9-10,14-15,18H,6-8H2,1H3
InChIKeyVMQBLTPWUNHJLV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
[3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]hydrazine
CID 103025799
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029885
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
CID 64986776
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103008155) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)C2Cc3ccccc32)cn1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is VMQBLTPWUNHJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-10-11(9-16-17)6-7-15(18)14-8-12-4-2-3-5-13(12)14/h2-5,9-10,14-15,18H,6-8H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103008155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).