isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol

C16H17N3O — CID 104504645

IUPACisoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H17N3O/c1-2-9-19-15(7-8-18-19)16(20)14-11-17-10-12-5-3-4-6-13(12)14/h3-8,10-11,16,20H,2,9H2,1H3
InChIKeyKVWCCHFNMYYPCT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds4

About isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol

isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol (PubChem CID 104504645) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
PubChem CID104504645
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Nameisoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H17N3O/c1-2-9-19-15(7-8-18-19)16(20)14-11-17-10-12-5-3-4-6-13(12)14/h3-8,10-11,16,20H,2,9H2,1H3
InChIKeyKVWCCHFNMYYPCT-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 114557016
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097636
1-isoquinolin-4-ylpentan-1-ol
CID 63938213

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol (CID 104504645) is isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol?
The InChIKey is KVWCCHFNMYYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-9-19-15(7-8-18-19)16(20)14-11-17-10-12-5-3-4-6-13(12)14/h3-8,10-11,16,20H,2,9H2,1H3.
What are the key properties of isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol?
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 104504645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).