(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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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).