1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile

C63H43F12N15O5 — CID 159721476

About 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile

1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile (PubChem CID 159721476) has the molecular formula C63H43F12N15O5 and a molecular weight of 1318.11 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile
• PubChem CID: 159721476
• Molecular Formula: C63H43F12N15O5
• Molecular Weight: 1318.11 g/mol
• Exact Mass: 1317.34
• IUPAC Name: 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile
• SMILES: C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c(C#N)n1.N#Cc1[nH]ncc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.N#Cc1nn(CC(O)CO)cc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
• InChI: InChI=1S/C22H17F4N5O3.C22H15F4N5O.C19H11F4N5O/c23-15-2-4-16(5-3-15)31-20-6-1-14(7-13(20)9-28-31)21(34,22(24,25)26)18-11-30(10-17(33)12-32)29-19(18)8-27;1-2-9-30-13-18(19(11-27)29-30)21(32,22(24,25)26)15-3-8-20-14(10-15)12-28-31(20)17-6-4-16(23)5-7-17;20-13-2-4-14(5-3-13)28-17-6-1-12(7-11(17)9-26-28)18(29,19(21,22)23)15-10-25-27-16(15)8-24/h1-7,9,11,17,32-34H,10,12H2;2-8,10,12-13,32H,1,9H2;1-7,9-10,29H,(H,25,27)
• InChIKey: NACBGQNIUGVFHM-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 290.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1318.11
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile?

The IUPAC name of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile (CID 159721476) is 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile.

What is the SMILES notation for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile?

The canonical SMILES for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile is C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c(C#N)n1.N#Cc1[nH]ncc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.N#Cc1nn(CC(O)CO)cc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.

What is the InChIKey of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile?

The InChIKey is NACBGQNIUGVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O3.C22H15F4N5O.C19H11F4N5O/c23-15-2-4-16(5-3-15)31-20-6-1-14(7-13(20)9-28-31)21(34,22(24,25)26)18-11-30(10-17(33)12-32)29-19(18)8-27;1-2-9-30-13-18(19(11-27)29-30)21(32,22(24,25)26)15-3-8-20-14(10-15)12-28-31(20)17-6-4-16(23)5-7-17;20-13-2-4-14(5-3-13)28-17-6-1-12(7-11(17)9-26-28)18(29,19(21,22)23)15-10-25-27-16(15)8-24/h1-7,9,11,17,32-34H,10,12H2;2-8,10,12-13,32H,1,9H2;1-7,9-10,29H,(H,25,27).

What are the key properties of 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile?

1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile has a molecular weight of 1318.11 g/mol, XLogP of 10.16, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydroxypropyl)-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrazole-3-carbonitrile;4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 159721476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).