(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone

C12H19N3O — CID 116608096

IUPAC(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCn1nccc1C(=O)C1(CC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-12(7-5-8-13-12)11(16)10-6-9-14-15(10)4-2/h6,9,13H,3-5,7-8H2,1-2H3
InChIKeyZNLBQQLTSOHKTH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone

(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 116608096) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID116608096
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCn1nccc1C(=O)C1(CC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-12(7-5-8-13-12)11(16)10-6-9-14-15(10)4-2/h6,9,13H,3-5,7-8H2,1-2H3
InChIKeyZNLBQQLTSOHKTH-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608218
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 116608096) is (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCn1nccc1C(=O)C1(CC)CCCN1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is ZNLBQQLTSOHKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(7-5-8-13-12)11(16)10-6-9-14-15(10)4-2/h6,9,13H,3-5,7-8H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116608096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).