N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride

C20H24ClN3O — CID 3046925

IUPACN,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride
SMILESCc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-16-9-11-17(12-10-16)19-15-23(18-7-5-4-6-8-18)21-20(19)24-14-13-22(2)3;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyPEBNUKZLLJCTAP-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.21
Rot. Bonds6

About N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride

N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride (PubChem CID 3046925) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride
PubChem CID3046925
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride
SMILESCc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-16-9-11-17(12-10-16)19-15-23(18-7-5-4-6-8-18)21-20(19)24-14-13-22(2)3;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyPEBNUKZLLJCTAP-UHFFFAOYSA-N
XLogP4.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride (CID 3046925) is N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride is Cc1ccc(-c2cn(-c3ccccc3)nc2OCCN(C)C)cc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride?
The InChIKey is PEBNUKZLLJCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-16-9-11-17(12-10-16)19-15-23(18-7-5-4-6-8-18)21-20(19)24-14-13-22(2)3;/h4-12,15H,13-14H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride?
N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxyethanamine;hydrochloride is sourced from PubChem (CID 3046925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).