3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol

C14H13N3O — CID 168925716

IUPAC3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
SMILESCc1ncc2ccc(-c3cnn(C)c3)cc2c1O
InChIInChI=1S/C14H13N3O/c1-9-14(18)13-5-10(3-4-11(13)6-15-9)12-7-16-17(2)8-12/h3-8,18H,1-2H3
InChIKeyPRFUWPLYNFIKNW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.65
Rot. Bonds1

About 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol

3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol (PubChem CID 168925716) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
PubChem CID168925716
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
SMILESCc1ncc2ccc(-c3cnn(C)c3)cc2c1O
InChIInChI=1S/C14H13N3O/c1-9-14(18)13-5-10(3-4-11(13)6-15-9)12-7-16-17(2)8-12/h3-8,18H,1-2H3
InChIKeyPRFUWPLYNFIKNW-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol
CID 174059960
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
CID 130118340
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pent-3-yn-2-one
CID 147954464
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol?
The IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol (CID 168925716) is 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol.
What is the SMILES notation for 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol?
The canonical SMILES for 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol is Cc1ncc2ccc(-c3cnn(C)c3)cc2c1O.
What is the InChIKey of 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol?
The InChIKey is PRFUWPLYNFIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-14(18)13-5-10(3-4-11(13)6-15-9)12-7-16-17(2)8-12/h3-8,18H,1-2H3.
What are the key properties of 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol?
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol is sourced from PubChem (CID 168925716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).