(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C12H20N4O — CID 63216391

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C12H20N4O/c1-4-8-9(13)10(15-14-8)11(17)16-7-5-6-12(16,2)3/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyKXLGYLJXACFCEC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.57
Rot. Bonds2

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 63216391) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID63216391
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C12H20N4O/c1-4-8-9(13)10(15-14-8)11(17)16-7-5-6-12(16,2)3/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyKXLGYLJXACFCEC-UHFFFAOYSA-N
XLogP1.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63218734
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 82746456
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66116549
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 63216391) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is CCc1[nH]nc(C(=O)N2CCCC2(C)C)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is KXLGYLJXACFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-8-9(13)10(15-14-8)11(17)16-7-5-6-12(16,2)3/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63216391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).