1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone

C8H13N3O — CID 119054332

IUPAC1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C(C)C)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-8(9)7(4-10-11)6(3)12/h4-5H,9H2,1-3H3
InChIKeyXDLBZICKRZUAFR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone

1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 119054332) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID119054332
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C(C)C)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-8(9)7(4-10-11)6(3)12/h4-5H,9H2,1-3H3
InChIKeyXDLBZICKRZUAFR-UHFFFAOYSA-N
XLogP1.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213760
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
benzene-1,2-diamine;1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
CID 159346773
1-(5-amino-1-ethylpyrazol-4-yl)ethanone
CID 119054334
1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
CID 105459519
(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 146680677
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
5-nitro-1-propan-2-ylpyrazole-4-carboxylic acid
CID 146680478
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone (CID 119054332) is 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C(C)C)c1N.
What is the InChIKey of 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is XDLBZICKRZUAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-8(9)7(4-10-11)6(3)12/h4-5H,9H2,1-3H3.
What are the key properties of 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 119054332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).