2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C18H24ClN5O2 — CID 4784898

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H24ClN5O2/c1-12(2)24-16(9-10-20-24)22-18(26)13(3)23(4)11-17(25)21-15-8-6-5-7-14(15)19/h5-10,12-13H,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJASQGZONYXHOFT-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.01
Rot. Bonds7

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 4784898) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID4784898
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H24ClN5O2/c1-12(2)24-16(9-10-20-24)22-18(26)13(3)23(4)11-17(25)21-15-8-6-5-7-14(15)19/h5-10,12-13H,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJASQGZONYXHOFT-UHFFFAOYSA-N
XLogP3.01
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 4784898) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C(=O)Nc1ccnn1C(C)C)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is JASQGZONYXHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-12(2)24-16(9-10-20-24)22-18(26)13(3)23(4)11-17(25)21-15-8-6-5-7-14(15)19/h5-10,12-13H,11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 377.88 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 4784898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).