1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one

C12H16N4O — CID 103014899

IUPAC1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CCc2ccnn2C)c1
InChIInChI=1S/C12H16N4O/c1-3-12(17)10-8-14-16(9-10)7-5-11-4-6-13-15(11)2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyVGUWHZCUHDZBGZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.45
Rot. Bonds5

About 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one (PubChem CID 103014899) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one
PubChem CID103014899
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CCc2ccnn2C)c1
InChIInChI=1S/C12H16N4O/c1-3-12(17)10-8-14-16(9-10)7-5-11-4-6-13-15(11)2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyVGUWHZCUHDZBGZ-UHFFFAOYSA-N
XLogP1.45
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]propan-1-one
CID 103005392
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 62728210
1-[1-[(4-iodophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 65491721
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-3-carboxylic acid
CID 103003681
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103014934
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one (CID 103014899) is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one is CCC(=O)c1cnn(CCc2ccnn2C)c1.
What is the InChIKey of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one?
The InChIKey is VGUWHZCUHDZBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-12(17)10-8-14-16(9-10)7-5-11-4-6-13-15(11)2/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one?
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one has a molecular weight of 232.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 103014899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).