1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol

C10H16N2O — CID 130705017

IUPAC1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC1CC1C(C)(O)c1cnn(C)c1
InChIInChI=1S/C10H16N2O/c1-7-4-9(7)10(2,13)8-5-11-12(3)6-8/h5-7,9,13H,4H2,1-3H3
InChIKeyZTPCWCZGDPKIQT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.28
Rot. Bonds2

About 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol

1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 130705017) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID130705017
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC1CC1C(C)(O)c1cnn(C)c1
InChIInChI=1S/C10H16N2O/c1-7-4-9(7)10(2,13)8-5-11-12(3)6-8/h5-7,9,13H,4H2,1-3H3
InChIKeyZTPCWCZGDPKIQT-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 130705017) is 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol is CC1CC1C(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is ZTPCWCZGDPKIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-9(7)10(2,13)8-5-11-12(3)6-8/h5-7,9,13H,4H2,1-3H3.
What are the key properties of 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol?
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 130705017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).