1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol

C13H16ClN3O — CID 114642988

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
SMILESCCCn1ncc(Cl)c1C(O)Cc1ccccn1
InChIInChI=1S/C13H16ClN3O/c1-2-7-17-13(11(14)9-16-17)12(18)8-10-5-3-4-6-15-10/h3-6,9,12,18H,2,7-8H2,1H3
InChIKeyUTNWAYSJKLJPSM-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol

1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol (PubChem CID 114642988) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
PubChem CID114642988
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
SMILESCCCn1ncc(Cl)c1C(O)Cc1ccccn1
InChIInChI=1S/C13H16ClN3O/c1-2-7-17-13(11(14)9-16-17)12(18)8-10-5-3-4-6-15-10/h3-6,9,12,18H,2,7-8H2,1H3
InChIKeyUTNWAYSJKLJPSM-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-pyridin-2-ylethyl]hydrazine
CID 105199815
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol (CID 114642988) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol is CCCn1ncc(Cl)c1C(O)Cc1ccccn1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The InChIKey is UTNWAYSJKLJPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-7-17-13(11(14)9-16-17)12(18)8-10-5-3-4-6-15-10/h3-6,9,12,18H,2,7-8H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol?
1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol has a molecular weight of 265.74 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 114642988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).