1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine

C18H25FN4 — CID 131935560

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
SMILESCc1cc(C)n(CC(C)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H25FN4/c1-14-12-15(2)23(20-14)13-16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)19/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyMJUYIQQKCFAKCP-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine

1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine (PubChem CID 131935560) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
PubChem CID131935560
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
SMILESCc1cc(C)n(CC(C)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H25FN4/c1-14-12-15(2)23(20-14)13-16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)19/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyMJUYIQQKCFAKCP-UHFFFAOYSA-N
XLogP2.85
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine
CID 62556416
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 138806201
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
CID 60917598
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111264698

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine (CID 131935560) is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine is Cc1cc(C)n(CC(C)N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine?
The InChIKey is MJUYIQQKCFAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-14-12-15(2)23(20-14)13-16(3)21-8-10-22(11-9-21)18-7-5-4-6-17(18)19/h4-7,12,16H,8-11,13H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine?
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine has a molecular weight of 316.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 131935560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).