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

C9H16N2O — CID 64516316

IUPAC1-(2-methylpyrazol-3-yl)pentan-3-ol
SMILESCCC(O)CCc1ccnn1C
InChIInChI=1S/C9H16N2O/c1-3-9(12)5-4-8-6-7-10-11(8)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeyDQEXDWSGABKUGC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.12
Rot. Bonds4

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

1-(2-methylpyrazol-3-yl)pentan-3-ol (PubChem CID 64516316) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)pentan-3-ol
PubChem CID64516316
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-methylpyrazol-3-yl)pentan-3-ol
SMILESCCC(O)CCc1ccnn1C
InChIInChI=1S/C9H16N2O/c1-3-9(12)5-4-8-6-7-10-11(8)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeyDQEXDWSGABKUGC-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
8-(2-methylpyrazol-3-yl)octan-4-ol
CID 103016003
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)pentan-3-ol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)pentan-3-ol (CID 64516316) is 1-(2-methylpyrazol-3-yl)pentan-3-ol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)pentan-3-ol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)pentan-3-ol is CCC(O)CCc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)pentan-3-ol?
The InChIKey is DQEXDWSGABKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(12)5-4-8-6-7-10-11(8)2/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)pentan-3-ol?
1-(2-methylpyrazol-3-yl)pentan-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)pentan-3-ol is sourced from PubChem (CID 64516316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).