2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

C16H26N4O — CID 66163237

IUPAC2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cncn2C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-5-14(6-2)20-8-7-13(18-20)9-16(21)15-10-17-11-19(15)12(3)4/h7-8,10-12,14,16,21H,5-6,9H2,1-4H3
InChIKeyRTCHCIBDVKXNBM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.30
Rot. Bonds7

About 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66163237) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66163237
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cncn2C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-5-14(6-2)20-8-7-13(18-20)9-16(21)15-10-17-11-19(15)12(3)4/h7-8,10-12,14,16,21H,5-6,9H2,1-4H3
InChIKeyRTCHCIBDVKXNBM-UHFFFAOYSA-N
XLogP3.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66163237) is 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is CCC(CC)n1ccc(CC(O)c2cncn2C(C)C)n1.
What is the InChIKey of 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is RTCHCIBDVKXNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-14(6-2)20-8-7-13(18-20)9-16(21)15-10-17-11-19(15)12(3)4/h7-8,10-12,14,16,21H,5-6,9H2,1-4H3.
What are the key properties of 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 290.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66163237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).