3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C23H23N5O2 — CID 142313359

About 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 142313359) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
• PubChem CID: 142313359
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(c2)CCN3)c1N
• InChI: InChI=1S/C23H23N5O2/c1-13-2-3-16(23(30)27-17-5-6-17)11-20(13)28-22(24)18(12-26-28)21(29)15-4-7-19-14(10-15)8-9-25-19/h2-4,7,10-12,17,25H,5-6,8-9,24H2,1H3,(H,27,30)
• InChIKey: TUENEKKZAQLZKV-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 102.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?

The IUPAC name of 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 142313359) is 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

What is the SMILES notation for 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?

The canonical SMILES for 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(c2)CCN3)c1N.

What is the InChIKey of 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?

The InChIKey is TUENEKKZAQLZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-2-3-16(23(30)27-17-5-6-17)11-20(13)28-22(24)18(12-26-28)21(29)15-4-7-19-14(10-15)8-9-25-19/h2-4,7,10-12,17,25H,5-6,8-9,24H2,1H3,(H,27,30).

What are the key properties of 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?

3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 142313359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).