1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole

C10H17N3 — CID 42576240

IUPAC1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
SMILESCCn1nc(C)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H17N3/c1-3-13-10(7-8(2)12-13)9-5-4-6-11-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyLCLMSCUWBMIQLO-VIFPVBQESA-N
MW179.27 g/mol
LogP1.64
Rot. Bonds2

About 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole

1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole (PubChem CID 42576240) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
PubChem CID42576240
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
SMILESCCn1nc(C)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H17N3/c1-3-13-10(7-8(2)12-13)9-5-4-6-11-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyLCLMSCUWBMIQLO-VIFPVBQESA-N
XLogP1.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
4-bromo-1-ethyl-5-pyrrolidin-2-ylpyrazole
CID 114663184
2-(2-ethylpyrazol-3-yl)-3-methylpiperidine
CID 106779052
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
CID 100589849
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552945
2-ethyl-N-(2-hydroxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106612708
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
CID 106780199
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
1-ethyl-3,5-dimethylpyrazole
CID 565993
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole (CID 42576240) is 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole is CCn1nc(C)cc1[C@@H]1CCCN1.
What is the InChIKey of 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole?
The InChIKey is LCLMSCUWBMIQLO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-10(7-8(2)12-13)9-5-4-6-11-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole?
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 42576240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).