1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C14H14F2N6O2 — CID 40610148

About 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 40610148) has the molecular formula C14H14F2N6O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
• PubChem CID: 40610148
• Molecular Formula: C14H14F2N6O2
• Molecular Weight: 336.30 g/mol
• Exact Mass: 336.11
• IUPAC Name: 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
• SMILES: CC1=NN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@](O)(C(F)F)C1
• InChI: InChI=1S/C14H14F2N6O2/c1-9-7-14(24,13(15)16)22(18-9)12(23)6-10-2-4-11(5-3-10)21-8-17-19-20-21/h2-5,8,13,24H,6-7H2,1H3/t14-/m1/s1
• InChIKey: HGOGFPKKXKTEMG-CQSZACIVSA-N
• XLogP: 0.77
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.30
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?

The IUPAC name of 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 40610148) is 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

What is the SMILES notation for 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?

The canonical SMILES for 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is CC1=NN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@](O)(C(F)F)C1.

What is the InChIKey of 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?

The InChIKey is HGOGFPKKXKTEMG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14F2N6O2/c1-9-7-14(24,13(15)16)22(18-9)12(23)6-10-2-4-11(5-3-10)21-8-17-19-20-21/h2-5,8,13,24H,6-7H2,1H3/t14-/m1/s1.

What are the key properties of 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?

1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 336.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 40610148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).