1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine

C21H24N4 — CID 166187046

IUPAC1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)25-15-13-24(14-16-25)17-20-11-12-22-23-20/h1-12,21H,13-17H2,(H,22,23)
InChIKeyLFIQWFBQSDFGFI-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.32
Rot. Bonds5

About 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine

1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine (PubChem CID 166187046) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
PubChem CID166187046
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)25-15-13-24(14-16-25)17-20-11-12-22-23-20/h1-12,21H,13-17H2,(H,22,23)
InChIKeyLFIQWFBQSDFGFI-UHFFFAOYSA-N
XLogP3.32
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19106667
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
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1-benzhydryl-4-ethylpiperazine;ethane
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1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
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1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
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1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine (CID 166187046) is 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine is c1ccc(C(c2ccccc2)N2CCN(Cc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The InChIKey is LFIQWFBQSDFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)25-15-13-24(14-16-25)17-20-11-12-22-23-20/h1-12,21H,13-17H2,(H,22,23).
What are the key properties of 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine?
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine is sourced from PubChem (CID 166187046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).