(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol

C15H20N2O3 — CID 61088204

IUPAC(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cnn(C)c2)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-11(8-14(13)20-5-2)15(18)12-9-16-17(3)10-12/h6-10,15,18H,4-5H2,1-3H3
InChIKeyNTFUFUJNKZXESA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds6

About (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol

(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 61088204) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID61088204
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cnn(C)c2)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-11(8-14(13)20-5-2)15(18)12-9-16-17(3)10-12/h6-10,15,18H,4-5H2,1-3H3
InChIKeyNTFUFUJNKZXESA-UHFFFAOYSA-N
XLogP2.30
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
CID 103216660
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol (CID 61088204) is (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol is CCOc1ccc(C(O)c2cnn(C)c2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is NTFUFUJNKZXESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-13-7-6-11(8-14(13)20-5-2)15(18)12-9-16-17(3)10-12/h6-10,15,18H,4-5H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 276.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).