3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide

C18H24N4O2 — CID 56784807

IUPAC3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
SMILESCCNC(=O)Cn1ccc(NC(=O)CCc2ccc(C)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-4-19-18(24)12-22-10-9-16(21-22)20-17(23)8-7-15-6-5-13(2)11-14(15)3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyIRINMHUNKQUBJH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.21
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide

3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide (PubChem CID 56784807) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
PubChem CID56784807
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
SMILESCCNC(=O)Cn1ccc(NC(=O)CCc2ccc(C)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-4-19-18(24)12-22-10-9-16(21-22)20-17(23)8-7-15-6-5-13(2)11-14(15)3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyIRINMHUNKQUBJH-UHFFFAOYSA-N
XLogP2.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide (CID 56784807) is 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide is CCNC(=O)Cn1ccc(NC(=O)CCc2ccc(C)cc2C)n1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide?
The InChIKey is IRINMHUNKQUBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-19-18(24)12-22-10-9-16(21-22)20-17(23)8-7-15-6-5-13(2)11-14(15)3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,19,24)(H,20,21,23).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide?
3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 56784807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).