N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

C23H22ClN3 — CID 51110159

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3.ClH/c1-4-10-19(11-5-1)16-24-17-21-18-26(22-14-8-3-9-15-22)25-23(21)20-12-6-2-7-13-20;/h1-15,18,24H,16-17H2;1H
InChIKeyMNYZYKNUGKPLGB-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.25
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 51110159) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID51110159
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3.ClH/c1-4-10-19(11-5-1)16-24-17-21-18-26(22-14-8-3-9-15-22)25-23(21)20-12-6-2-7-13-20;/h1-15,18,24H,16-17H2;1H
InChIKeyMNYZYKNUGKPLGB-UHFFFAOYSA-N
XLogP5.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (CID 51110159) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is Cl.c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is MNYZYKNUGKPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3.ClH/c1-4-10-19(11-5-1)16-24-17-21-18-26(22-14-8-3-9-15-22)25-23(21)20-12-6-2-7-13-20;/h1-15,18,24H,16-17H2;1H.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 51110159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).