1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone

C7H11N3O — CID 165464413

IUPAC1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C)c1CN
InChIInChI=1S/C7H11N3O/c1-5(11)6-4-9-10(2)7(6)3-8/h4H,3,8H2,1-2H3
InChIKeyOXIFMHXRKSVTDI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.08
Rot. Bonds2

About 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone

1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone (PubChem CID 165464413) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
PubChem CID165464413
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C)c1CN
InChIInChI=1S/C7H11N3O/c1-5(11)6-4-9-10(2)7(6)3-8/h4H,3,8H2,1-2H3
InChIKeyOXIFMHXRKSVTDI-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 75468759
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine
CID 165465616
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
CID 130616096
1-(5-amino-1-ethylpyrazol-4-yl)ethanone
CID 119054334
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-[(4-acetyl-3-fluorophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107714417
(4-cyclopropyl-1-methylpyrazol-5-yl)methanamine
CID 105422577
5-(3-aminopropylsulfanylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630087
1-[5-(4-hydroxybutylamino)-1-methylpyrazol-4-yl]ethanone
CID 167159000
1-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]ethanone
CID 105472133

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone (CID 165464413) is 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone is CC(=O)c1cnn(C)c1CN.
What is the InChIKey of 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone?
The InChIKey is OXIFMHXRKSVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11)6-4-9-10(2)7(6)3-8/h4H,3,8H2,1-2H3.
What are the key properties of 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone?
1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 165464413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).