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

C13H22N4O — CID 66116549

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3
InChIKeyIMAYEIPNHVQHGR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds2

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

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 66116549) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID66116549
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3
InChIKeyIMAYEIPNHVQHGR-UHFFFAOYSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 66116549) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is CCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is IMAYEIPNHVQHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66116549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).