(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol

C16H17N3O — CID 81215608

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cnn(C)c3C)ccc2n1
InChIInChI=1S/C16H17N3O/c1-10-4-5-12-8-13(6-7-15(12)18-10)16(20)14-9-17-19(3)11(14)2/h4-9,16,20H,1-3H3
InChIKeyBTDDTWYGBPTSCW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.67
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol

(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol (PubChem CID 81215608) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
PubChem CID81215608
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cnn(C)c3C)ccc2n1
InChIInChI=1S/C16H17N3O/c1-10-4-5-12-8-13(6-7-15(12)18-10)16(20)14-9-17-19(3)11(14)2/h4-9,16,20H,1-3H3
InChIKeyBTDDTWYGBPTSCW-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol (CID 81215608) is (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol is Cc1ccc2cc(C(O)c3cnn(C)c3C)ccc2n1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is BTDDTWYGBPTSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-4-5-12-8-13(6-7-15(12)18-10)16(20)14-9-17-19(3)11(14)2/h4-9,16,20H,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol?
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 81215608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).