4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole

C12H20FN3 — CID 146367103

IUPAC4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
SMILESCN1CC(F)C(n2cc(C(C)(C)C)cn2)C1
InChIInChI=1S/C12H20FN3/c1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13/h5-6,10-11H,7-8H2,1-4H3
InChIKeyXJFQLBVRIPNINS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.01
Rot. Bonds1

About 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole

4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole (PubChem CID 146367103) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
PubChem CID146367103
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
SMILESCN1CC(F)C(n2cc(C(C)(C)C)cn2)C1
InChIInChI=1S/C12H20FN3/c1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13/h5-6,10-11H,7-8H2,1-4H3
InChIKeyXJFQLBVRIPNINS-UHFFFAOYSA-N
XLogP2.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole 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

4-Tert-butyl-1-ethenylpyrazole
CID 154722705
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75441559
[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 119030854
1-(2,2-Difluoroethyl)-4-propan-2-ylpyrazole
CID 59333381
4-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 59623701
1-(2-Fluoropropyl)-4-propan-2-ylpyrazole
CID 68044694
1-(2-Fluoroprop-2-enyl)-4-propan-2-ylpyrazole
CID 68044696
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 68044697
1-[(Z)-2-fluoroprop-1-enyl]-4-propan-2-ylpyrazole
CID 68044698
4-Ethyl-1-[3-ethyl-1-(3-fluoropropyl)azetidin-3-yl]pyrazole
CID 68231786
5-Ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 70938159
4-Tert-butyl-1-(difluoromethyl)pyrazole
CID 89744610

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The IUPAC name of 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole (CID 146367103) is 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole.
What is the SMILES notation for 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The canonical SMILES for 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole is CN1CC(F)C(n2cc(C(C)(C)C)cn2)C1.
What is the InChIKey of 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The InChIKey is XJFQLBVRIPNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(2,3)9-5-14-16(6-9)11-8-15(4)7-10(11)13/h5-6,10-11H,7-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole has a molecular weight of 225.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole is sourced from PubChem (CID 146367103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).