4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C15H21ClN6O2 — CID 19525036

About 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19525036) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
• PubChem CID: 19525036
• Molecular Formula: C15H21ClN6O2
• Molecular Weight: 352.83 g/mol
• Exact Mass: 352.14
• IUPAC Name: 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)Cn2cc(Cl)cn2)c(C(=O)NCC(C)C)n1
• InChI: InChI=1S/C15H21ClN6O2/c1-4-21-8-12(14(20-21)15(24)17-5-10(2)3)19-13(23)9-22-7-11(16)6-18-22/h6-8,10H,4-5,9H2,1-3H3,(H,17,24)(H,19,23)
• InChIKey: KCSBFABVBARCAJ-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.83
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?

The IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19525036) is 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

What is the SMILES notation for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?

The canonical SMILES for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2cc(Cl)cn2)c(C(=O)NCC(C)C)n1.

What is the InChIKey of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?

The InChIKey is KCSBFABVBARCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-4-21-8-12(14(20-21)15(24)17-5-10(2)3)19-13(23)9-22-7-11(16)6-18-22/h6-8,10H,4-5,9H2,1-3H3,(H,17,24)(H,19,23).

What are the key properties of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?

4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19525036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).