2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C7H11N3O — CID 82416902

IUPAC2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1C(=O)CN
InChIInChI=1S/C7H11N3O/c1-4-7(6(11)3-8)5(2)10-9-4/h3,8H2,1-2H3,(H,9,10)
InChIKeyRYSZTYMWXUSWDZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.17
Rot. Bonds2

About 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 82416902) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID82416902
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1C(=O)CN
InChIInChI=1S/C7H11N3O/c1-4-7(6(11)3-8)5(2)10-9-4/h3,8H2,1-2H3,(H,9,10)
InChIKeyRYSZTYMWXUSWDZ-UHFFFAOYSA-N
XLogP0.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 79651912
2-amino-1-(4-tert-butyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82400083
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64882712
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 79667677
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 82416902) is 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1n[nH]c(C)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is RYSZTYMWXUSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-7(6(11)3-8)5(2)10-9-4/h3,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 82416902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).