4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol

C19H20ClN3O2 — CID 145427456

IUPAC4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol
SMILESCCOc1ccc(-n2nc(CN)cc2Cc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-2-25-17-7-8-19(18(20)11-17)23-15(10-14(12-21)22-23)9-13-3-5-16(24)6-4-13/h3-8,10-11,24H,2,9,12,21H2,1H3
InChIKeyBBBDJVCAALTHLP-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.68
Rot. Bonds6

About 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol

4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol (PubChem CID 145427456) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol
PubChem CID145427456
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol
SMILESCCOc1ccc(-n2nc(CN)cc2Cc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-2-25-17-7-8-19(18(20)11-17)23-15(10-14(12-21)22-23)9-13-3-5-16(24)6-4-13/h3-8,10-11,24H,2,9,12,21H2,1H3
InChIKeyBBBDJVCAALTHLP-UHFFFAOYSA-N
XLogP3.68
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol 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

4-[[3-(aminomethyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-yl]methyl]phenol
CID 145427495
4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol
CID 115093107
1-(2-chloro-4-ethoxyphenyl)pyrazole
CID 91589970
3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 82700552
3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
CID 67382439
[3-chloro-4-[(4-ethoxyphenyl)methyl]-5-hydroxyphenyl]methyl acetate
CID 68990563
2-(3-chloro-4-ethoxyphenoxy)ethanamine
CID 96671591
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol (CID 145427456) is 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol is CCOc1ccc(-n2nc(CN)cc2Cc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol?
The InChIKey is BBBDJVCAALTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-25-17-7-8-19(18(20)11-17)23-15(10-14(12-21)22-23)9-13-3-5-16(24)6-4-13/h3-8,10-11,24H,2,9,12,21H2,1H3.
What are the key properties of 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol?
4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol has a molecular weight of 357.84 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol is sourced from PubChem (CID 145427456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).