1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine

C15H20N4 — CID 117210074

IUPAC1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
SMILESCc1cccc(Cc2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C15H20N4/c1-12-3-2-4-13(9-12)10-14-15(11-17-18-14)19-7-5-16-6-8-19/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,18)
InChIKeyCLWUWVYRSCSOMN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.72
Rot. Bonds3

About 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine

1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine (PubChem CID 117210074) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
PubChem CID117210074
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
SMILESCc1cccc(Cc2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C15H20N4/c1-12-3-2-4-13(9-12)10-14-15(11-17-18-14)19-7-5-16-6-8-19/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,18)
InChIKeyCLWUWVYRSCSOMN-UHFFFAOYSA-N
XLogP1.72
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)aniline
CID 22493258
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157
N-(1-Ethyl-4-piperidyl)-N-(1H-5-indazolyl)-amine
CID 17838238
N-(1-ethylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838266
5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188689
(R)-5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188690
(S)-5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188691
5-(2-butylpiperazin-1-yl)-1H-indazole
CID 44188693
5-(2-isobutylpiperazin-1-yl)-1H-indazole
CID 44188695

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine (CID 117210074) is 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine is Cc1cccc(Cc2[nH]ncc2N2CCNCC2)c1.
What is the InChIKey of 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine?
The InChIKey is CLWUWVYRSCSOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-3-2-4-13(9-12)10-14-15(11-17-18-14)19-7-5-16-6-8-19/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,18).
What are the key properties of 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine?
1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).