(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

C11H17N3O — CID 66120347

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCC2)n(C)n1
InChIInChI=1S/C11H17N3O/c1-3-9-8-10(13(2)12-9)11(15)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyLFBZXGSZMJXFDC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds2

About (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 66120347) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID66120347
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCC2)n(C)n1
InChIInChI=1S/C11H17N3O/c1-3-9-8-10(13(2)12-9)11(15)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyLFBZXGSZMJXFDC-UHFFFAOYSA-N
XLogP1.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 26320858
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 90875781
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 66120347) is (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is CCc1cc(C(=O)N2CCCC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LFBZXGSZMJXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-8-10(13(2)12-9)11(15)14-6-4-5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66120347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).