(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol

C15H15ClN4O — CID 114643685

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc2nccnc2c1
InChIInChI=1S/C15H15ClN4O/c1-9(2)20-14(11(16)8-19-20)15(21)10-3-4-12-13(7-10)18-6-5-17-12/h3-9,15,21H,1-2H3
InChIKeyOEXBATFQTVLPPH-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.14
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol (PubChem CID 114643685) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
PubChem CID114643685
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc2nccnc2c1
InChIInChI=1S/C15H15ClN4O/c1-9(2)20-14(11(16)8-19-20)15(21)10-3-4-12-13(7-10)18-6-5-17-12/h3-9,15,21H,1-2H3
InChIKeyOEXBATFQTVLPPH-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
CID 114651326
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638156
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol (CID 114643685) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol is CC(C)n1ncc(Cl)c1C(O)c1ccc2nccnc2c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol?
The InChIKey is OEXBATFQTVLPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9(2)20-14(11(16)8-19-20)15(21)10-3-4-12-13(7-10)18-6-5-17-12/h3-9,15,21H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol has a molecular weight of 302.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol is sourced from PubChem (CID 114643685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).