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

C17H32N2O — CID 115808024

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H32N2O/c1-5-9-14(10-6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3
InChIKeyOZUANEQYHHXKER-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.36
Rot. Bonds10

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

1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol (PubChem CID 115808024) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
PubChem CID115808024
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H32N2O/c1-5-9-14(10-6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3
InChIKeyOZUANEQYHHXKER-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 115807945
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
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
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol (CID 115808024) is 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol is CCCC(CCC)C(O)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol?
The InChIKey is OZUANEQYHHXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-9-14(10-6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol?
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol has a molecular weight of 280.46 g/mol, XLogP of 4.36, 10 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)-3-propylhexan-2-ol is sourced from PubChem (CID 115808024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).