1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine

C19H35FN4 — CID 142466610

IUPAC1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCn1nc(CN2CCN(CCF)CC2)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H35FN4/c1-18(2,3)16-15(21-22(7)17(16)19(4,5)6)14-24-12-10-23(9-8-20)11-13-24/h8-14H2,1-7H3
InChIKeyLXTWVRPXJGBKHH-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.10
Rot. Bonds4

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

1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (PubChem CID 142466610) has the molecular formula C19H35FN4 and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
PubChem CID142466610
Molecular FormulaC19H35FN4
Molecular Weight338.52 g/mol
Exact Mass338.28
IUPAC Name1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCn1nc(CN2CCN(CCF)CC2)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H35FN4/c1-18(2,3)16-15(21-22(7)17(16)19(4,5)6)14-24-12-10-23(9-8-20)11-13-24/h8-14H2,1-7H3
InChIKeyLXTWVRPXJGBKHH-UHFFFAOYSA-N
XLogP3.10
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)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

US11028083, Example 21
CID 139456561
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
5-Fluoro-1,3-dimethyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647571
4-Tert-butyl-3-ethyl-5-fluoro-1-methylpyrazole
CID 57709287
4-Tert-butyl-5-fluoro-1-methyl-3-propan-2-ylpyrazole
CID 57709313
4-Tert-butyl-5-fluoro-1-methyl-3-propylpyrazole
CID 57709315
3,4-Ditert-butyl-5-fluoro-1-methylpyrazole
CID 57709316
4-Tert-butyl-1,3-diethyl-5-fluoropyrazole
CID 57709478
3-Tert-butyl-4-ethyl-5-fluoro-1-methylpyrazole
CID 68381429
5-ethyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71029829
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90162166
1,5-dimethyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90167824

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The IUPAC name of 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (CID 142466610) is 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.
What is the SMILES notation for 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The canonical SMILES for 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is Cn1nc(CN2CCN(CCF)CC2)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The InChIKey is LXTWVRPXJGBKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN4/c1-18(2,3)16-15(21-22(7)17(16)19(4,5)6)14-24-12-10-23(9-8-20)11-13-24/h8-14H2,1-7H3.
What are the key properties of 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine has a molecular weight of 338.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-ditert-butyl-1-methylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is sourced from PubChem (CID 142466610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).