2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol

C14H18ClN3O — CID 105105538

IUPAC2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccncc2Cl)n(CC)n1
InChIInChI=1S/C14H18ClN3O/c1-3-11-8-13(18(4-2)17-11)14(19)7-10-5-6-16-9-12(10)15/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyKOYXGMQHYGRJBE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol

2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 105105538) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID105105538
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccncc2Cl)n(CC)n1
InChIInChI=1S/C14H18ClN3O/c1-3-11-8-13(18(4-2)17-11)14(19)7-10-5-6-16-9-12(10)15/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyKOYXGMQHYGRJBE-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105086935
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (CID 105105538) is 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2ccncc2Cl)n(CC)n1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is KOYXGMQHYGRJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-11-8-13(18(4-2)17-11)14(19)7-10-5-6-16-9-12(10)15/h5-6,8-9,14,19H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105105538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).