3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one

C7H7N3O — CID 134873540

IUPAC3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one
SMILESCc1cc(/N=C/C=C=O)n[nH]1
InChIInChI=1S/C7H7N3O/c1-6-5-7(10-9-6)8-3-2-4-11/h2-3,5H,1H3,(H,9,10)/b8-3+
InChIKeyIZPCSKSPWWQDKM-FPYGCLRLSA-N
MW149.15 g/mol
LogP0.81
Rot. Bonds2

About 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one

3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one (PubChem CID 134873540) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one
PubChem CID134873540
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one
SMILESCc1cc(/N=C/C=C=O)n[nH]1
InChIInChI=1S/C7H7N3O/c1-6-5-7(10-9-6)8-3-2-4-11/h2-3,5H,1H3,(H,9,10)/b8-3+
InChIKeyIZPCSKSPWWQDKM-FPYGCLRLSA-N
XLogP0.81
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazol-3-amine, 5-methyl-
CID 93146
3-Azido-5-methyl-1h-pyrazole
CID 135590643
5-Methylpyrazol-3-diazoniumchlorid
CID 11446404
5-methyl-1H-pyrazole-3-diazonium
CID 11446405
3-[(5-methyl-1H-pyrazol-3-yl)amino]propa-1,2-dien-1-one
CID 134893388
methyl N-(5-methyl-1H-pyrazol-3-yl)-3-oxoprop-2-enimidothioate
CID 134893393
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)diazenyl]methanamine
CID 135409705
N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)diazenyl]ethanamine
CID 135440283
Pyrazol-5-amine, 3-methyl-N-dimethylaminomethylene-
CID 592274
N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide
CID 9855494
N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 10702003
N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 10844796

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one (CID 134873540) is 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one is Cc1cc(/N=C/C=C=O)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one?
The InChIKey is IZPCSKSPWWQDKM-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H7N3O/c1-6-5-7(10-9-6)8-3-2-4-11/h2-3,5H,1H3,(H,9,10)/b8-3+.
What are the key properties of 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one?
3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one has a molecular weight of 149.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-3-yl)imino]prop-1-en-1-one is sourced from PubChem (CID 134873540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).