3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol

C12H20N2O — CID 103006315

IUPAC3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
SMILESCCC(O)(CCc1ccnn1C)C1CC1
InChIInChI=1S/C12H20N2O/c1-3-12(15,10-4-5-10)8-6-11-7-9-13-14(11)2/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyRHBFESHBYUJDED-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.90
Rot. Bonds5

About 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol

3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol (PubChem CID 103006315) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
PubChem CID103006315
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
SMILESCCC(O)(CCc1ccnn1C)C1CC1
InChIInChI=1S/C12H20N2O/c1-3-12(15,10-4-5-10)8-6-11-7-9-13-14(11)2/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyRHBFESHBYUJDED-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546
2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103006623
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
CID 103019741

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol?
The IUPAC name of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol (CID 103006315) is 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol is CCC(O)(CCc1ccnn1C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol?
The InChIKey is RHBFESHBYUJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(15,10-4-5-10)8-6-11-7-9-13-14(11)2/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol?
3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol has a molecular weight of 208.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol is sourced from PubChem (CID 103006315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).