1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol

C16H17N3O — CID 79584284

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
SMILESCc1c(C(O)Cc2ccnc3ccccc23)cnn1C
InChIInChI=1S/C16H17N3O/c1-11-14(10-18-19(11)2)16(20)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,10,16,20H,9H2,1-2H3
InChIKeyAWVLMJKTOFQVGW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol

1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol (PubChem CID 79584284) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
PubChem CID79584284
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
SMILESCc1c(C(O)Cc2ccnc3ccccc23)cnn1C
InChIInChI=1S/C16H17N3O/c1-11-14(10-18-19(11)2)16(20)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,10,16,20H,9H2,1-2H3
InChIKeyAWVLMJKTOFQVGW-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-quinolin-4-ylethanol
CID 63893794
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 105131039
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(6-methoxy-3-pyridinyl)-2-quinolin-4-ylethanol
CID 114937830
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
CID 105107049
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
4-(2-ethylbutyl)quinoline
CID 143495355

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol (CID 79584284) is 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol is Cc1c(C(O)Cc2ccnc3ccccc23)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol?
The InChIKey is AWVLMJKTOFQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-14(10-18-19(11)2)16(20)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,10,16,20H,9H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol?
1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol has a molecular weight of 267.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 79584284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).