1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol

C14H24N2O2 — CID 103028043

IUPAC1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
SMILESCn1nccc1CCC(O)CCC1CCCCO1
InChIInChI=1S/C14H24N2O2/c1-16-12(9-10-15-16)5-6-13(17)7-8-14-4-2-3-11-18-14/h9-10,13-14,17H,2-8,11H2,1H3
InChIKeyYQNOUMQEWCZRTA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.06
Rot. Bonds6

About 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol

1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol (PubChem CID 103028043) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
PubChem CID103028043
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
SMILESCn1nccc1CCC(O)CCC1CCCCO1
InChIInChI=1S/C14H24N2O2/c1-16-12(9-10-15-16)5-6-13(17)7-8-14-4-2-3-11-18-14/h9-10,13-14,17H,2-8,11H2,1H3
InChIKeyYQNOUMQEWCZRTA-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-ol
CID 115814532
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol (CID 103028043) is 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol is Cn1nccc1CCC(O)CCC1CCCCO1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol?
The InChIKey is YQNOUMQEWCZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-12(9-10-15-16)5-6-13(17)7-8-14-4-2-3-11-18-14/h9-10,13-14,17H,2-8,11H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol?
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol has a molecular weight of 252.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol is sourced from PubChem (CID 103028043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).