1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine

C21H23FN4O — CID 24865378

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyFUAFPDSCJPKWKZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.55
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 24865378) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID24865378
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyFUAFPDSCJPKWKZ-UHFFFAOYSA-N
XLogP3.55
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(2-ethoxyphenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812423
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24791174
2-[3-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11558948
1-[(3-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565200
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine (CID 24865378) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is FUAFPDSCJPKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h2-9,14H,10-13,15H2,1H3,(H,23,24).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 366.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 24865378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).