1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C16H26N4O — CID 105104073

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccn(C(CC)CC)n2)n(C)n1
InChIInChI=1S/C16H26N4O/c1-5-12-10-15(19(4)17-12)16(21)11-13-8-9-20(18-13)14(6-2)7-3/h8-10,14,16,21H,5-7,11H2,1-4H3
InChIKeyDDCNRUXSHOAYRI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.82
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 105104073) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID105104073
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccn(C(CC)CC)n2)n(C)n1
InChIInChI=1S/C16H26N4O/c1-5-12-10-15(19(4)17-12)16(21)11-13-8-9-20(18-13)14(6-2)7-3/h8-10,14,16,21H,5-7,11H2,1-4H3
InChIKeyDDCNRUXSHOAYRI-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 105103405
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1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
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1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
CID 105123108
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506
1-(5-ethylfuran-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783113
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 105104073) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCc1cc(C(O)Cc2ccn(C(CC)CC)n2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is DDCNRUXSHOAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-12-10-15(19(4)17-12)16(21)11-13-8-9-20(18-13)14(6-2)7-3/h8-10,14,16,21H,5-7,11H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 290.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105104073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).