1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole

C12H21N3 — CID 83858637

IUPAC1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
SMILESCc1nn(C)c(CCC2CCNC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)14-15(3)12(9)5-4-11-6-7-13-8-11/h11,13H,4-8H2,1-3H3
InChIKeyODTSTVXORKIWES-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.58
Rot. Bonds3

About 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole

1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole (PubChem CID 83858637) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
PubChem CID83858637
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
SMILESCc1nn(C)c(CCC2CCNC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)14-15(3)12(9)5-4-11-6-7-13-8-11/h11,13H,4-8H2,1-3H3
InChIKeyODTSTVXORKIWES-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502
1,3,4-trimethyl-5-(2-pyrrolidin-2-ylethyl)pyrazole
CID 83858638
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583481
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
CID 83857019
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55111099
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
CID 63757374

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole?
The IUPAC name of 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole (CID 83858637) is 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole.
What is the SMILES notation for 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole?
The canonical SMILES for 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole is Cc1nn(C)c(CCC2CCNC2)c1C.
What is the InChIKey of 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole?
The InChIKey is ODTSTVXORKIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-10(2)14-15(3)12(9)5-4-11-6-7-13-8-11/h11,13H,4-8H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole?
1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole is sourced from PubChem (CID 83858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).