1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol

C15H26N2O — CID 103008398

IUPAC1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-17-14(11-12-16-17)9-10-15(18)13-7-5-3-2-4-6-8-13/h11-13,15,18H,2-10H2,1H3
InChIKeyBLTBVWVHVZUQRL-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.07
Rot. Bonds4

About 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol

1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103008398) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103008398
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-17-14(11-12-16-17)9-10-15(18)13-7-5-3-2-4-6-8-13/h11-13,15,18H,2-10H2,1H3
InChIKeyBLTBVWVHVZUQRL-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008341
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043
[1-cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103008398) is 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is BLTBVWVHVZUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-14(11-12-16-17)9-10-15(18)13-7-5-3-2-4-6-8-13/h11-13,15,18H,2-10H2,1H3.
What are the key properties of 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103008398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).