1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C13H18N4O — CID 103023801

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCCc1cc(C(=O)CCc2cnn(C)c2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-4-11-7-12(17(3)15-11)13(18)6-5-10-8-14-16(2)9-10/h7-9H,4-6H2,1-3H3
InChIKeyUFCIWLKNKIDGSG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103023801) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103023801
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCCc1cc(C(=O)CCc2cnn(C)c2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-4-11-7-12(17(3)15-11)13(18)6-5-10-8-14-16(2)9-10/h7-9H,4-6H2,1-3H3
InChIKeyUFCIWLKNKIDGSG-UHFFFAOYSA-N
XLogP1.53
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
1-(3-ethyl-1-methylpyrazol-5-yl)pent-4-yn-1-one
CID 105100746
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025805
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 107967873
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103023801) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is CCc1cc(C(=O)CCc2cnn(C)c2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is UFCIWLKNKIDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-7-12(17(3)15-11)13(18)6-5-10-8-14-16(2)9-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 246.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).