2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H28N4O2 — CID 87024401

IUPAC2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCCOc1cc(C)ccc1NC(C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C19H28N4O2/c1-7-10-25-17-11-12(2)8-9-16(17)20-14(4)19(24)21-18-13(3)22-23(6)15(18)5/h8-9,11,14,20H,7,10H2,1-6H3,(H,21,24)
InChIKeyKLJLPYZDSYPTMA-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 87024401) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID87024401
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCCOc1cc(C)ccc1NC(C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C19H28N4O2/c1-7-10-25-17-11-12(2)8-9-16(17)20-14(4)19(24)21-18-13(3)22-23(6)15(18)5/h8-9,11,14,20H,7,10H2,1-6H3,(H,21,24)
InChIKeyKLJLPYZDSYPTMA-UHFFFAOYSA-N
XLogP3.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 87024401) is 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCCOc1cc(C)ccc1NC(C)C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KLJLPYZDSYPTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-7-10-25-17-11-12(2)8-9-16(17)20-14(4)19(24)21-18-13(3)22-23(6)15(18)5/h8-9,11,14,20H,7,10H2,1-6H3,(H,21,24).
What are the key properties of 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 87024401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).