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

C17H24N2O2 — CID 64785290

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)COc2ccccc2)n1
InChIInChI=1S/C17H24N2O2/c1-3-15(4-2)19-11-10-14(18-19)12-16(20)13-21-17-8-6-5-7-9-17/h5-11,15-16,20H,3-4,12-13H2,1-2H3
InChIKeyIKIPWHBAHKOMPH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds8

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

1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol (PubChem CID 64785290) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
PubChem CID64785290
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)COc2ccccc2)n1
InChIInChI=1S/C17H24N2O2/c1-3-15(4-2)19-11-10-14(18-19)12-16(20)13-21-17-8-6-5-7-9-17/h5-11,15-16,20H,3-4,12-13H2,1-2H3
InChIKeyIKIPWHBAHKOMPH-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
CID 64779800
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol (CID 64785290) is 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol is CCC(CC)n1ccc(CC(O)COc2ccccc2)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol?
The InChIKey is IKIPWHBAHKOMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15(4-2)19-11-10-14(18-19)12-16(20)13-21-17-8-6-5-7-9-17/h5-11,15-16,20H,3-4,12-13H2,1-2H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol?
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 64785290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).