1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol

C13H21ClN2O — CID 115832460

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1CC(O)CC1CCCC1
InChIInChI=1S/C13H21ClN2O/c1-9-12(13(14)16(2)15-9)8-11(17)7-10-5-3-4-6-10/h10-11,17H,3-8H2,1-2H3
InChIKeyONJNLUDHWYYNTN-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.87
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol (PubChem CID 115832460) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
PubChem CID115832460
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1CC(O)CC1CCCC1
InChIInChI=1S/C13H21ClN2O/c1-9-12(13(14)16(2)15-9)8-11(17)7-10-5-3-4-6-10/h10-11,17H,3-8H2,1-2H3
InChIKeyONJNLUDHWYYNTN-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105233011
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 113470323
1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832340
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107190783
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol (CID 115832460) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol is Cc1nn(C)c(Cl)c1CC(O)CC1CCCC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol?
The InChIKey is ONJNLUDHWYYNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9-12(13(14)16(2)15-9)8-11(17)7-10-5-3-4-6-10/h10-11,17H,3-8H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol has a molecular weight of 256.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 115832460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).