2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone

C10H17N3O — CID 82400083

IUPAC2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1[nH]nc(C(=O)CN)c1C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-6-8(10(2,3)4)9(13-12-6)7(14)5-11/h5,11H2,1-4H3,(H,12,13)
InChIKeyPGLSLKVMQPIZQK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone

2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone (PubChem CID 82400083) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone
PubChem CID82400083
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1[nH]nc(C(=O)CN)c1C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-6-8(10(2,3)4)9(13-12-6)7(14)5-11/h5,11H2,1-4H3,(H,12,13)
InChIKeyPGLSLKVMQPIZQK-UHFFFAOYSA-N
XLogP1.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 82416902
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 79384969
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
4,5-dimethyl-1H-pyrazole-3-carbothioic S-acid
CID 166818437
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
1-(3-amino-4-tert-butyl-1H-pyrazol-5-yl)ethanone
CID 68877243
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
5-tert-butyl-4-chloro-1H-pyrazole-3-carboxylic acid
CID 56762721
N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126996863

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone (CID 82400083) is 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone is Cc1[nH]nc(C(=O)CN)c1C(C)(C)C.
What is the InChIKey of 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is PGLSLKVMQPIZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-8(10(2,3)4)9(13-12-6)7(14)5-11/h5,11H2,1-4H3,(H,12,13).
What are the key properties of 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone?
2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 195.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 82400083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).