5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H23F3N6O — CID 39058873

About 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 39058873) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 39058873
• Molecular Formula: C22H23F3N6O
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.19
• IUPAC Name: 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C22H23F3N6O/c1-14(2)20-17(13-28-31(20)19-7-5-15(11-26-19)22(23,24)25)21(32)29-16-6-8-18(27-12-16)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,29,32)
• InChIKey: VDAXDMNKLKOZNR-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 39058873) is 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is VDAXDMNKLKOZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-14(2)20-17(13-28-31(20)19-7-5-15(11-26-19)22(23,24)25)21(32)29-16-6-8-18(27-12-16)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,29,32).

What are the key properties of 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39058873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).