5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole

C19H17FN4 — CID 134202487

IUPAC5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H17FN4/c1-11(2)18-17(13-5-8-16-14(9-13)10-21-22-16)19(24-23-18)12-3-6-15(20)7-4-12/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyJPWCNZNLDMCUAN-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.88
Rot. Bonds3

About 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole

5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole (PubChem CID 134202487) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole
PubChem CID134202487
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC Name5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H17FN4/c1-11(2)18-17(13-5-8-16-14(9-13)10-21-22-16)19(24-23-18)12-3-6-15(20)7-4-12/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyJPWCNZNLDMCUAN-UHFFFAOYSA-N
XLogP4.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole (CID 134202487) is 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole is CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole?
The InChIKey is JPWCNZNLDMCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c1-11(2)18-17(13-5-8-16-14(9-13)10-21-22-16)19(24-23-18)12-3-6-15(20)7-4-12/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole?
5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole has a molecular weight of 320.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 134202487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).