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

C15H20N4 — CID 171622315

IUPAC1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H20N4/c1-13-2-4-15(5-3-13)19-10-8-18(9-11-19)12-14-6-7-16-17-14/h2-7H,8-12H2,1H3,(H,16,17)
InChIKeyQYRGMRWFCYRQLA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.04
Rot. Bonds3

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

1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine (PubChem CID 171622315) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
PubChem CID171622315
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H20N4/c1-13-2-4-15(5-3-13)19-10-8-18(9-11-19)12-14-6-7-16-17-14/h2-7H,8-12H2,1H3,(H,16,17)
InChIKeyQYRGMRWFCYRQLA-UHFFFAOYSA-N
XLogP2.04
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 172895482
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 171622128
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
CID 144702602
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
1-[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119110021
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
CID 22762590
5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
CID 164649717
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine (CID 171622315) is 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine is Cc1ccc(N2CCN(Cc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine?
The InChIKey is QYRGMRWFCYRQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-2-4-15(5-3-13)19-10-8-18(9-11-19)12-14-6-7-16-17-14/h2-7H,8-12H2,1H3,(H,16,17).
What are the key properties of 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine?
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine has a molecular weight of 256.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine is sourced from PubChem (CID 171622315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).