3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol

C13H24N2O — CID 115780380

IUPAC3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cnn(C)c1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)13(16)8-11-9-14-15(3)10-11/h9-10,12-13,16H,4-8H2,1-3H3
InChIKeyAIHOLJMDERGPDK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds7

About 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol

3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol (PubChem CID 115780380) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
PubChem CID115780380
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cnn(C)c1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)13(16)8-11-9-14-15(3)10-11/h9-10,12-13,16H,4-8H2,1-3H3
InChIKeyAIHOLJMDERGPDK-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol?
The IUPAC name of 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol (CID 115780380) is 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol?
The canonical SMILES for 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol is CCCCC(CC)C(O)Cc1cnn(C)c1.
What is the InChIKey of 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol?
The InChIKey is AIHOLJMDERGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-7-12(5-2)13(16)8-11-9-14-15(3)10-11/h9-10,12-13,16H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol?
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol has a molecular weight of 224.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol is sourced from PubChem (CID 115780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).