1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol

C14H24N2O — CID 103170098

IUPAC1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CCC2)n(CC)n1
InChIInChI=1S/C14H24N2O/c1-3-12-9-13(16(4-2)15-12)10-14(17)8-11-6-5-7-11/h9,11,14,17H,3-8,10H2,1-2H3
InChIKeyJVRDMNXXYIIENV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds6

About 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol

1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol (PubChem CID 103170098) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
PubChem CID103170098
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CCC2)n(CC)n1
InChIInChI=1S/C14H24N2O/c1-3-12-9-13(16(4-2)15-12)10-14(17)8-11-6-5-7-11/h9,11,14,17H,3-8,10H2,1-2H3
InChIKeyJVRDMNXXYIIENV-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105108962
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
CID 114283090
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231524
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
(1,3-diethylpyrazol-5-yl)-(3-ethylcyclohexyl)methanol
CID 105104498
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103901
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987467

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol (CID 103170098) is 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol is CCc1cc(CC(O)CC2CCC2)n(CC)n1.
What is the InChIKey of 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The InChIKey is JVRDMNXXYIIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-9-13(16(4-2)15-12)10-14(17)8-11-6-5-7-11/h9,11,14,17H,3-8,10H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol?
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 103170098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).