1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine

C21H23FN4 — CID 67240908

IUPAC1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1
InChIInChI=1S/C21H23FN4/c1-25-10-12-26(13-11-25)21(19-14-23-24-15-19)18-4-2-16(3-5-18)17-6-8-20(22)9-7-17/h2-9,14-15,21H,10-13H2,1H3,(H,23,24)
InChIKeyDIRFBBAVBZZLRT-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.55
Rot. Bonds4

About 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine

1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine (PubChem CID 67240908) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
PubChem CID67240908
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1
InChIInChI=1S/C21H23FN4/c1-25-10-12-26(13-11-25)21(19-14-23-24-15-19)18-4-2-16(3-5-18)17-6-8-20(22)9-7-17/h2-9,14-15,21H,10-13H2,1H3,(H,23,24)
InChIKeyDIRFBBAVBZZLRT-UHFFFAOYSA-N
XLogP3.55
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
CID 11738219
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
N*1*-{(4-Chloro-phenyl)-[4-(1H-pyrazol-4-yl)-phenyl]-methyl}-ethane-1,2-diamine
CID 59446654
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
4-{1-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}thiomorpholine
CID 16187601
(2S)-1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methyl-2-phenylpiperazine
CID 16192301
1-propyl-4-[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]piperidine
CID 45488939
4-[(4-fluorophenyl)methylidene]-1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 9886126
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine (CID 67240908) is 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine is CN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The InChIKey is DIRFBBAVBZZLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-25-10-12-26(13-11-25)21(19-14-23-24-15-19)18-4-2-16(3-5-18)17-6-8-20(22)9-7-17/h2-9,14-15,21H,10-13H2,1H3,(H,23,24).
What are the key properties of 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine has a molecular weight of 350.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 67240908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).