[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol

C17H19N3O — CID 106768512

IUPAC[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol
SMILESCCc1c(C)nn(-c2ncc(CO)c3ccccc23)c1C
InChIInChI=1S/C17H19N3O/c1-4-14-11(2)19-20(12(14)3)17-16-8-6-5-7-15(16)13(10-21)9-18-17/h5-9,21H,4,10H2,1-3H3
InChIKeyKPQJJBRKQAMGNO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds3

About [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol

[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol (PubChem CID 106768512) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol
PubChem CID106768512
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol
SMILESCCc1c(C)nn(-c2ncc(CO)c3ccccc23)c1C
InChIInChI=1S/C17H19N3O/c1-4-14-11(2)19-20(12(14)3)17-16-8-6-5-7-15(16)13(10-21)9-18-17/h5-9,21H,4,10H2,1-3H3
InChIKeyKPQJJBRKQAMGNO-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol
CID 61237231
[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
CID 106777098
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
CID 62477705
(1-imidazol-1-ylisoquinolin-4-yl)methanol
CID 106768496
[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256691
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632665
(E)-3-[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638044
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
(1R)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 114056502
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 61238154
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol?
The IUPAC name of [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol (CID 106768512) is [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol?
The canonical SMILES for [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol is CCc1c(C)nn(-c2ncc(CO)c3ccccc23)c1C.
What is the InChIKey of [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol?
The InChIKey is KPQJJBRKQAMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-14-11(2)19-20(12(14)3)17-16-8-6-5-7-15(16)13(10-21)9-18-17/h5-9,21H,4,10H2,1-3H3.
What are the key properties of [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol?
[1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).