1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine

C13H23FN4 — CID 142466719

IUPAC1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine
SMILESCc1c(CN2CCN(CCF)CC2)nn(C)c1C
InChIInChI=1S/C13H23FN4/c1-11-12(2)16(3)15-13(11)10-18-8-6-17(5-4-14)7-9-18/h4-10H2,1-3H3
InChIKeyOSCHBLPQVQXWEP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.12
Rot. Bonds4

About 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine

1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine (PubChem CID 142466719) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine
PubChem CID142466719
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine
SMILESCc1c(CN2CCN(CCF)CC2)nn(C)c1C
InChIInChI=1S/C13H23FN4/c1-11-12(2)16(3)15-13(11)10-18-8-6-17(5-4-14)7-9-18/h4-10H2,1-3H3
InChIKeyOSCHBLPQVQXWEP-UHFFFAOYSA-N
XLogP1.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
Sbb010340
CID 6492580
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97404995
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 97405042
6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97405048
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine (CID 142466719) is 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine is Cc1c(CN2CCN(CCF)CC2)nn(C)c1C.
What is the InChIKey of 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine?
The InChIKey is OSCHBLPQVQXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-11-12(2)16(3)15-13(11)10-18-8-6-17(5-4-14)7-9-18/h4-10H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine?
1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine has a molecular weight of 254.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 142466719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).