(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol

C15H13Cl2N3O — CID 114638079

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13Cl2N3O/c1-2-20-14(12(17)8-19-20)15(21)10-5-6-11(16)9-4-3-7-18-13(9)10/h3-8,15,21H,2H2,1H3
InChIKeyCSCPAHIEXDSRGG-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.84
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol (PubChem CID 114638079) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
PubChem CID114638079
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13Cl2N3O/c1-2-20-14(12(17)8-19-20)15(21)10-5-6-11(16)9-4-3-7-18-13(9)10/h3-8,15,21H,2H2,1H3
InChIKeyCSCPAHIEXDSRGG-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
CID 106461386
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol (CID 114638079) is (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol is CCn1ncc(Cl)c1C(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol?
The InChIKey is CSCPAHIEXDSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-20-14(12(17)8-19-20)15(21)10-5-6-11(16)9-4-3-7-18-13(9)10/h3-8,15,21H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol has a molecular weight of 322.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol is sourced from PubChem (CID 114638079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).