3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole

C11H17N3 — CID 83829953

IUPAC3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole
SMILESCn1cc(C2CCCN2)c(C2CC2)n1
InChIInChI=1S/C11H17N3/c1-14-7-9(10-3-2-6-12-10)11(13-14)8-4-5-8/h7-8,10,12H,2-6H2,1H3
InChIKeyKHOYPPXISWCDHT-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.72
Rot. Bonds2

About 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole

3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole (PubChem CID 83829953) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole
PubChem CID83829953
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole
SMILESCn1cc(C2CCCN2)c(C2CC2)n1
InChIInChI=1S/C11H17N3/c1-14-7-9(10-3-2-6-12-10)11(13-14)8-4-5-8/h7-8,10,12H,2-6H2,1H3
InChIKeyKHOYPPXISWCDHT-UHFFFAOYSA-N
XLogP1.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
3-cyclopropyl-1-methylpyrazol-4-ol
CID 138715420
4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
CID 175802907
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
1-methyl-4-pyrrolidin-2-ylpyrazol-5-amine
CID 163948603
3-chloro-5-cyclopropyl-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 152595459
5-cyclopropyl-1-methyl-2-pyrrolidin-2-ylimidazole
CID 84663591
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
3-methyl-7-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 84670809

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole (CID 83829953) is 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole is Cn1cc(C2CCCN2)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole?
The InChIKey is KHOYPPXISWCDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-7-9(10-3-2-6-12-10)11(13-14)8-4-5-8/h7-8,10,12H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole?
3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole has a molecular weight of 191.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 83829953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).