1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

C11H14N4O — CID 103007529

IUPAC1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1ccc(C(=O)CCc2ccnn2C)n1
InChIInChI=1S/C11H14N4O/c1-14-8-6-10(13-14)11(16)4-3-9-5-7-12-15(9)2/h5-8H,3-4H2,1-2H3
InChIKeyOUGIDVNENXDJPC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.97
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103007529) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103007529
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1ccc(C(=O)CCc2ccnn2C)n1
InChIInChI=1S/C11H14N4O/c1-14-8-6-10(13-14)11(16)4-3-9-5-7-12-15(9)2/h5-8H,3-4H2,1-2H3
InChIKeyOUGIDVNENXDJPC-UHFFFAOYSA-N
XLogP0.97
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
CID 103024371
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024409
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103007529) is 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1ccc(C(=O)CCc2ccnn2C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is OUGIDVNENXDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-8-6-10(13-14)11(16)4-3-9-5-7-12-15(9)2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 218.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103007529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).