1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

C11H20N2O — CID 64785051

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(C)O)n1
InChIInChI=1S/C11H20N2O/c1-4-11(5-2)13-7-6-10(12-13)8-9(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyYKJXIHGBSVSTSP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds5

About 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (PubChem CID 64785051) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
PubChem CID64785051
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(C)O)n1
InChIInChI=1S/C11H20N2O/c1-4-11(5-2)13-7-6-10(12-13)8-9(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyYKJXIHGBSVSTSP-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (CID 64785051) is 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is CCC(CC)n1ccc(CC(C)O)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is YKJXIHGBSVSTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(5-2)13-7-6-10(12-13)8-9(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 64785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).