2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride

C20H24ClN3O2 — CID 3046919

IUPAC2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-22(2)13-14-25-20-19(16-9-11-18(24-3)12-10-16)15-23(21-20)17-7-5-4-6-8-17;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyGJWABAZRXDHBMU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride

2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 3046919) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID3046919
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-22(2)13-14-25-20-19(16-9-11-18(24-3)12-10-16)15-23(21-20)17-7-5-4-6-8-17;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyGJWABAZRXDHBMU-UHFFFAOYSA-N
XLogP3.91
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (CID 3046919) is 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is COc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is GJWABAZRXDHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-22(2)13-14-25-20-19(16-9-11-18(24-3)12-10-16)15-23(21-20)17-7-5-4-6-8-17;/h4-12,15H,13-14H2,1-3H3;1H.
What are the key properties of 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3046919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).