[4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone

C26H32F3N7O — CID 155152144

About [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone

[4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 155152144) has the molecular formula C26H32F3N7O and a molecular weight of 515.58 g/mol. Its IUPAC name is [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone
• PubChem CID: 155152144
• Molecular Formula: C26H32F3N7O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.26
• IUPAC Name: [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone
• SMILES: O=C(C1CC1)N1CCN(C2=CC3NN=CC3C=C2NC(C2=CCCCC2)c2cn[nH]c2C(F)(F)F)CC1
• InChI: InChI=1S/C26H32F3N7O/c27-26(28,29)24-19(15-31-34-24)23(16-4-2-1-3-5-16)32-21-12-18-14-30-33-20(18)13-22(21)35-8-10-36(11-9-35)25(37)17-6-7-17/h4,12-15,17-18,20,23,32-33H,1-3,5-11H2,(H,31,34)
• InChIKey: LYZFZPOXOYIKQX-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 88.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone?

The IUPAC name of [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone (CID 155152144) is [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone.

What is the SMILES notation for [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone?

The canonical SMILES for [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(C2=CC3NN=CC3C=C2NC(C2=CCCCC2)c2cn[nH]c2C(F)(F)F)CC1.

What is the InChIKey of [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone?

The InChIKey is LYZFZPOXOYIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O/c27-26(28,29)24-19(15-31-34-24)23(16-4-2-1-3-5-16)32-21-12-18-14-30-33-20(18)13-22(21)35-8-10-36(11-9-35)25(37)17-6-7-17/h4,12-15,17-18,20,23,32-33H,1-3,5-11H2,(H,31,34).

What are the key properties of [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone?

[4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 515.58 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[[cyclohexen-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]amino]-3a,7a-dihydro-1H-indazol-6-yl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 155152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).