4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole

C11H19N3 — CID 103570829

IUPAC4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
SMILESCCn1cc(C2CC(C)NC2C)cn1
InChIInChI=1S/C11H19N3/c1-4-14-7-10(6-12-14)11-5-8(2)13-9(11)3/h6-9,11,13H,4-5H2,1-3H3
InChIKeyZVDHDTPFDFSVRO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds2

About 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole

4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole (PubChem CID 103570829) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
PubChem CID103570829
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
SMILESCCn1cc(C2CC(C)NC2C)cn1
InChIInChI=1S/C11H19N3/c1-4-14-7-10(6-12-14)11-5-8(2)13-9(11)3/h6-9,11,13H,4-5H2,1-3H3
InChIKeyZVDHDTPFDFSVRO-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1-ethylpyrazol-4-yl)pyrrolidine-3-carboxamide
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2-(1-ethylpyrazol-4-yl)-N-methylcyclopentan-1-amine
CID 62603685
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570445
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole?
The IUPAC name of 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole (CID 103570829) is 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole.
What is the SMILES notation for 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole?
The canonical SMILES for 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole is CCn1cc(C2CC(C)NC2C)cn1.
What is the InChIKey of 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole?
The InChIKey is ZVDHDTPFDFSVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-14-7-10(6-12-14)11-5-8(2)13-9(11)3/h6-9,11,13H,4-5H2,1-3H3.
What are the key properties of 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole?
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole is sourced from PubChem (CID 103570829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).