3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide

C19H26N4O3 — CID 91840859

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide
SMILESCC(=O)c1c(C)nn(C(C)CC(=O)N(C)Cc2cc(C3CC3)on2)c1C
InChIInChI=1S/C19H26N4O3/c1-11(23-13(3)19(14(4)24)12(2)20-23)8-18(25)22(5)10-16-9-17(26-21-16)15-6-7-15/h9,11,15H,6-8,10H2,1-5H3
InChIKeyUZVARBSYTVTUJE-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.18
Rot. Bonds7

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide (PubChem CID 91840859) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide
PubChem CID91840859
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide
SMILESCC(=O)c1c(C)nn(C(C)CC(=O)N(C)Cc2cc(C3CC3)on2)c1C
InChIInChI=1S/C19H26N4O3/c1-11(23-13(3)19(14(4)24)12(2)20-23)8-18(25)22(5)10-16-9-17(26-21-16)15-6-7-15/h9,11,15H,6-8,10H2,1-5H3
InChIKeyUZVARBSYTVTUJE-UHFFFAOYSA-N
XLogP3.18
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide (CID 91840859) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide is CC(=O)c1c(C)nn(C(C)CC(=O)N(C)Cc2cc(C3CC3)on2)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide?
The InChIKey is UZVARBSYTVTUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11(23-13(3)19(14(4)24)12(2)20-23)8-18(25)22(5)10-16-9-17(26-21-16)15-6-7-15/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide has a molecular weight of 358.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 91840859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).