1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine

C19H33F2N3 — CID 142466702

IUPAC1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine
SMILESCCc1nn(CCN2CCC(F)(F)CC2)c(C(C)C)c1C(C)(C)C
InChIInChI=1S/C19H33F2N3/c1-7-15-16(18(4,5)6)17(14(2)3)24(22-15)13-12-23-10-8-19(20,21)9-11-23/h14H,7-13H2,1-6H3
InChIKeySALURXMUWIBACD-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.60
Rot. Bonds5

About 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine

1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine (PubChem CID 142466702) has the molecular formula C19H33F2N3 and a molecular weight of 341.49 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine
PubChem CID142466702
Molecular FormulaC19H33F2N3
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine
SMILESCCc1nn(CCN2CCC(F)(F)CC2)c(C(C)C)c1C(C)(C)C
InChIInChI=1S/C19H33F2N3/c1-7-15-16(18(4,5)6)17(14(2)3)24(22-15)13-12-23-10-8-19(20,21)9-11-23/h14H,7-13H2,1-6H3
InChIKeySALURXMUWIBACD-UHFFFAOYSA-N
XLogP4.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine 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

5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
4-Tert-butyl-5-fluoro-1-methyl-3-propan-2-ylpyrazole
CID 57709313
4-Tert-butyl-5-fluoro-1-methyl-3-propylpyrazole
CID 57709315
4-Tert-butyl-3-cyclopropyl-5-fluoro-1-methylpyrazole
CID 57709345
4-Tert-butyl-1,3-diethyl-5-fluoropyrazole
CID 57709478
4-Tert-butyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 57813005
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021
5-ethyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71029829
4-Cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204299
4-Cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 71204348
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-5-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 89842455
1-Methyl-5-propan-2-yl-3-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)pyrazole
CID 89843544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine (CID 142466702) is 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine is CCc1nn(CCN2CCC(F)(F)CC2)c(C(C)C)c1C(C)(C)C.
What is the InChIKey of 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine?
The InChIKey is SALURXMUWIBACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F2N3/c1-7-15-16(18(4,5)6)17(14(2)3)24(22-15)13-12-23-10-8-19(20,21)9-11-23/h14H,7-13H2,1-6H3.
What are the key properties of 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine?
1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine has a molecular weight of 341.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-3-ethyl-5-propan-2-ylpyrazol-1-yl)ethyl]-4,4-difluoropiperidine is sourced from PubChem (CID 142466702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).