(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C13H14Cl2N2O2 — CID 114635408

IUPAC(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3
InChIKeyKBXQYZWHTHRHQA-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.30
Rot. Bonds4

About (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114635408) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114635408
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3
InChIKeyKBXQYZWHTHRHQA-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114635408) is (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is KBXQYZWHTHRHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-17-12(11(19-2)7-16-17)13(18)8-4-9(14)6-10(15)5-8/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 301.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114635408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).