N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide

C23H29N5O — CID 45182228

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 45182228) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide
• PubChem CID: 45182228
• Molecular Formula: C23H29N5O
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.24
• IUPAC Name: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide
• SMILES: CC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CCc2cn[nH]c2)cc1
• InChI: InChI=1S/C23H29N5O/c1-23(2,3)17-8-10-18(11-9-17)28-21-6-4-5-20(19(21)15-26-28)27-22(29)12-7-16-13-24-25-14-16/h8-11,13-15,20H,4-7,12H2,1-3H3,(H,24,25)(H,27,29)
• InChIKey: GHCVBTLMUWFBSK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide?

The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide (CID 45182228) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide.

What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide?

The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide is CC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CCc2cn[nH]c2)cc1.

What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide?

The InChIKey is GHCVBTLMUWFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-23(2,3)17-8-10-18(11-9-17)28-21-6-4-5-20(19(21)15-26-28)27-22(29)12-7-16-13-24-25-14-16/h8-11,13-15,20H,4-7,12H2,1-3H3,(H,24,25)(H,27,29).

What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide?

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 45182228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).