2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone

C10H19N3O — CID 89129983

IUPAC2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone
SMILESCN1N=C(C(C)(C)C)CC1C(=O)CN
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-5-7(8(14)6-11)13(4)12-9/h7H,5-6,11H2,1-4H3
InChIKeyZVSDDMSTMUCJBN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds2

About 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone

2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone (PubChem CID 89129983) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone
PubChem CID89129983
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone
SMILESCN1N=C(C(C)(C)C)CC1C(=O)CN
InChIInChI=1S/C10H19N3O/c1-10(2,3)9-5-7(8(14)6-11)13(4)12-9/h7H,5-6,11H2,1-4H3
InChIKeyZVSDDMSTMUCJBN-UHFFFAOYSA-N
XLogP0.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
CID 143366500
[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid
CID 68570919
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
tert-butyl (2S)-2-amino-5-bromo-2H-1,3,4-thiadiazole-3-carboxylate
CID 95567121
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone (CID 89129983) is 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone is CN1N=C(C(C)(C)C)CC1C(=O)CN.
What is the InChIKey of 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone?
The InChIKey is ZVSDDMSTMUCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)9-5-7(8(14)6-11)13(4)12-9/h7H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone?
2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone is sourced from PubChem (CID 89129983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).