1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine

C16H22N4 — CID 103016180

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
SMILESCn1cc(CCN2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-19-12-14(11-18-19)7-9-20-10-8-17-16(13-20)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3
InChIKeyWAAQTIIUEUJDIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine (PubChem CID 103016180) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
PubChem CID103016180
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
SMILESCn1cc(CCN2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-19-12-14(11-18-19)7-9-20-10-8-17-16(13-20)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3
InChIKeyWAAQTIIUEUJDIC-UHFFFAOYSA-N
XLogP1.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64831892
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
1-(1-methylpyrazol-4-yl)-3-phenyl-1,4-diazepane
CID 64943935
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
3-phenyl-1-(3-propoxypropyl)piperazine
CID 82947433
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
CID 103414050
1-[2-(1-methylimidazol-2-yl)ethyl]-3-phenyl-1,4-diazepane
CID 114532416
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine (CID 103016180) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine is Cn1cc(CCN2CCNC(c3ccccc3)C2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine?
The InChIKey is WAAQTIIUEUJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-12-14(11-18-19)7-9-20-10-8-17-16(13-20)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine has a molecular weight of 270.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine is sourced from PubChem (CID 103016180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).