5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole

C14H25N3 — CID 167272578

IUPAC5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole
SMILESCCc1cc(C(C)(C)C)n(C2CCN(C)C2)n1
InChIInChI=1S/C14H25N3/c1-6-11-9-13(14(2,3)4)17(15-11)12-7-8-16(5)10-12/h9,12H,6-8,10H2,1-5H3
InChIKeyXPGSPEFGBYKUSC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds2

About 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole

5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole (PubChem CID 167272578) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole
PubChem CID167272578
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole
SMILESCCc1cc(C(C)(C)C)n(C2CCN(C)C2)n1
InChIInChI=1S/C14H25N3/c1-6-11-9-13(14(2,3)4)17(15-11)12-7-8-16(5)10-12/h9,12H,6-8,10H2,1-5H3
InChIKeyXPGSPEFGBYKUSC-UHFFFAOYSA-N
XLogP2.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine
CID 164559706
5-tert-butyl-3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
CID 167134467
(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine
CID 115025496
4-(3-ethylpyrazol-1-yl)-1-methylpiperidine
CID 170573689
3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole
CID 142320230
1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane
CID 176693094
4-iodo-5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 90382918
4-(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)-1-(2,2-difluoroethyl)piperidine
CID 157041564
4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoropropyl)piperidine
CID 167661810
5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine
CID 157042267
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
CID 123944716

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole?
The IUPAC name of 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole (CID 167272578) is 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole.
What is the SMILES notation for 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole?
The canonical SMILES for 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole is CCc1cc(C(C)(C)C)n(C2CCN(C)C2)n1.
What is the InChIKey of 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole?
The InChIKey is XPGSPEFGBYKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-11-9-13(14(2,3)4)17(15-11)12-7-8-16(5)10-12/h9,12H,6-8,10H2,1-5H3.
What are the key properties of 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole?
5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrazole is sourced from PubChem (CID 167272578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).