1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine

C23H28N4 — CID 121433185

IUPAC1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N4/c1-25-22(12-14-24-25)23(21-10-6-3-7-11-21)27-18-16-26(17-19-27)15-13-20-8-4-2-5-9-20/h2-12,14,23H,13,15-19H2,1H3
InChIKeyROESJGYUHMMCGC-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.37
Rot. Bonds6

About 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine

1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine (PubChem CID 121433185) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
PubChem CID121433185
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N4/c1-25-22(12-14-24-25)23(21-10-6-3-7-11-21)27-18-16-26(17-19-27)15-13-20-8-4-2-5-9-20/h2-12,14,23H,13,15-19H2,1H3
InChIKeyROESJGYUHMMCGC-UHFFFAOYSA-N
XLogP3.37
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
CID 121415159
N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide
CID 121433150
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 171913174
1-benzhydryl-4-butylpiperazine
CID 13416419
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
CID 138460344
1-benzhydryl-4-octylpiperazine
CID 12006583
2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342094
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine (CID 121433185) is 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine is Cn1nccc1C(c1ccccc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is ROESJGYUHMMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-25-22(12-14-24-25)23(21-10-6-3-7-11-21)27-18-16-26(17-19-27)15-13-20-8-4-2-5-9-20/h2-12,14,23H,13,15-19H2,1H3.
What are the key properties of 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine?
1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 360.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 121433185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).