3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole

C14H25N3 — CID 82694533

IUPAC3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
SMILESCCc1cc(CC)n(CCCC2CCCN2)n1
InChIInChI=1S/C14H25N3/c1-3-12-11-14(4-2)17(16-12)10-6-8-13-7-5-9-15-13/h11,13,15H,3-10H2,1-2H3
InChIKeyQCMMURGLSXFHBL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.54
Rot. Bonds6

About 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole

3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole (PubChem CID 82694533) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
PubChem CID82694533
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
SMILESCCc1cc(CC)n(CCCC2CCCN2)n1
InChIInChI=1S/C14H25N3/c1-3-12-11-14(4-2)17(16-12)10-6-8-13-7-5-9-15-13/h11,13,15H,3-10H2,1-2H3
InChIKeyQCMMURGLSXFHBL-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
CID 107391392
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
3,5-diethyl-1-propylpyrazole
CID 82699697
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
CID 66069286
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole?
The IUPAC name of 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole (CID 82694533) is 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole?
The canonical SMILES for 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole is CCc1cc(CC)n(CCCC2CCCN2)n1.
What is the InChIKey of 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole?
The InChIKey is QCMMURGLSXFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12-11-14(4-2)17(16-12)10-6-8-13-7-5-9-15-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole?
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole is sourced from PubChem (CID 82694533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).