1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole

C11H17N3 — CID 79879494

IUPAC1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole
SMILESCCn1nc(C)cc1C=C1CCNC1
InChIInChI=1S/C11H17N3/c1-3-14-11(6-9(2)13-14)7-10-4-5-12-8-10/h6-7,12H,3-5,8H2,1-2H3
InChIKeyKPRNIJIIUIUDGG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.59
Rot. Bonds2

About 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole

1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole (PubChem CID 79879494) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole
PubChem CID79879494
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole
SMILESCCn1nc(C)cc1C=C1CCNC1
InChIInChI=1S/C11H17N3/c1-3-14-11(6-9(2)13-14)7-10-4-5-12-8-10/h6-7,12H,3-5,8H2,1-2H3
InChIKeyKPRNIJIIUIUDGG-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]azepane
CID 103983725
3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
CID 79879094
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
CID 79880296
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
1-ethyl-3,5-dimethylpyrazole
CID 565993
4-[(3-ethyl-1-methylpyrazol-5-yl)methylidene]piperidine
CID 79879238
(3E)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylidene]piperidine
CID 134081391
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
CID 79880289
5-methyl-2-propylpyrazole-3-carbaldehyde
CID 102538374
4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine
CID 79880615
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole?
The IUPAC name of 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole (CID 79879494) is 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole is CCn1nc(C)cc1C=C1CCNC1.
What is the InChIKey of 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole?
The InChIKey is KPRNIJIIUIUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-14-11(6-9(2)13-14)7-10-4-5-12-8-10/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole?
1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole has a molecular weight of 191.28 g/mol, XLogP of 1.59, 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-(pyrrolidin-3-ylidenemethyl)pyrazole is sourced from PubChem (CID 79879494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).