1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol

C15H26ClN3O — CID 115834359

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1C(O)CCC1CCCC1
InChIInChI=1S/C15H26ClN3O/c1-18(2)9-10-19-15(13(16)11-17-19)14(20)8-7-12-5-3-4-6-12/h11-12,14,20H,3-10H2,1-2H3
InChIKeyYHTHHZVDWPLETA-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.10
Rot. Bonds7

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol (PubChem CID 115834359) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
PubChem CID115834359
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1C(O)CCC1CCCC1
InChIInChI=1S/C15H26ClN3O/c1-18(2)9-10-19-15(13(16)11-17-19)14(20)8-7-12-5-3-4-6-12/h11-12,14,20H,3-10H2,1-2H3
InChIKeyYHTHHZVDWPLETA-UHFFFAOYSA-N
XLogP3.10
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105127227
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
CID 114637159
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypropan-1-ol
CID 114644699
2-[5-[amino-(2,2-dimethylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190917
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol (CID 115834359) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol is CN(C)CCn1ncc(Cl)c1C(O)CCC1CCCC1.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol?
The InChIKey is YHTHHZVDWPLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-18(2)9-10-19-15(13(16)11-17-19)14(20)8-7-12-5-3-4-6-12/h11-12,14,20H,3-10H2,1-2H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol has a molecular weight of 299.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol is sourced from PubChem (CID 115834359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).