(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol

C16H17N3O — CID 114754847

IUPAC(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
SMILESCCn1nccc1C(O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C16H17N3O/c1-3-19-15(8-9-17-19)16(20)14-10-11(2)12-6-4-5-7-13(12)18-14/h4-10,16,20H,3H2,1-2H3
InChIKeyMAAFRRYVJNAZJQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.84
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol

(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol (PubChem CID 114754847) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
PubChem CID114754847
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
SMILESCCn1nccc1C(O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C16H17N3O/c1-3-19-15(8-9-17-19)16(20)14-10-11(2)12-6-4-5-7-13(12)18-14/h4-10,16,20H,3H2,1-2H3
InChIKeyMAAFRRYVJNAZJQ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
CID 114755178
(2-ethylpyrazol-3-yl)-quinolin-2-ylmethanol
CID 63975926
(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol
CID 63976354
(2-ethylpyrazol-3-yl)-quinolin-3-ylmethanol
CID 114556793
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
CID 63974209
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
CID 114754840
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
(2,5-dimethylpyrazol-3-yl)-(2-ethylpyrazol-3-yl)methanol
CID 105098174
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol (CID 114754847) is (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol is CCn1nccc1C(O)c1cc(C)c2ccccc2n1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol?
The InChIKey is MAAFRRYVJNAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-19-15(8-9-17-19)16(20)14-10-11(2)12-6-4-5-7-13(12)18-14/h4-10,16,20H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol?
(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol is sourced from PubChem (CID 114754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).