1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol

C12H20N2O — CID 106798253

IUPAC1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
SMILESCC(C)n1ccc(CC2(C(C)O)CC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)14-7-4-11(13-14)8-12(5-6-12)10(3)15/h4,7,9-10,15H,5-6,8H2,1-3H3
InChIKeyFHJDXRMHUMHPMH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol

1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol (PubChem CID 106798253) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
PubChem CID106798253
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
SMILESCC(C)n1ccc(CC2(C(C)O)CC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)14-7-4-11(13-14)8-12(5-6-12)10(3)15/h4,7,9-10,15H,5-6,8H2,1-3H3
InChIKeyFHJDXRMHUMHPMH-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 65020049
[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66060084
3-fluoro-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 112564015
1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772434
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolane-3-carboxylic acid
CID 114533828
4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 65094517

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol (CID 106798253) is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol is CC(C)n1ccc(CC2(C(C)O)CC2)n1.
What is the InChIKey of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol?
The InChIKey is FHJDXRMHUMHPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-7-4-11(13-14)8-12(5-6-12)10(3)15/h4,7,9-10,15H,5-6,8H2,1-3H3.
What are the key properties of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol?
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol has a molecular weight of 208.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).