1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine

C16H21FN4 — CID 90507425

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN4/c1-12-16(13(2)19-18-12)21-8-6-20(7-9-21)11-14-4-3-5-15(17)10-14/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUOHZHBOWJJFVCV-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 90507425) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID90507425
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN4/c1-12-16(13(2)19-18-12)21-8-6-20(7-9-21)11-14-4-3-5-15(17)10-14/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUOHZHBOWJJFVCV-UHFFFAOYSA-N
XLogP2.49
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507456
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 90507437
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171326837

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine (CID 90507425) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine is Cc1n[nH]c(C)c1N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is UOHZHBOWJJFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-12-16(13(2)19-18-12)21-8-6-20(7-9-21)11-14-4-3-5-15(17)10-14/h3-5,10H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 288.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 90507425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).