5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole

C14H12F2N6 — CID 12002717

IUPAC5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFc1ccc(F)c(C2CCc3[nH]nc(-c4nn[nH]n4)c3C2)c1
InChIInChI=1S/C14H12F2N6/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(18-17-12)14-19-21-22-20-14/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20,21,22)
InChIKeyZSAYGLNSJWSCPU-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.14
Rot. Bonds2

About 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole

5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 12002717) has the molecular formula C14H12F2N6 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID12002717
Molecular FormulaC14H12F2N6
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFc1ccc(F)c(C2CCc3[nH]nc(-c4nn[nH]n4)c3C2)c1
InChIInChI=1S/C14H12F2N6/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(18-17-12)14-19-21-22-20-14/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20,21,22)
InChIKeyZSAYGLNSJWSCPU-UHFFFAOYSA-N
XLogP2.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole (CID 12002717) is 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole is Fc1ccc(F)c(C2CCc3[nH]nc(-c4nn[nH]n4)c3C2)c1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is ZSAYGLNSJWSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(18-17-12)14-19-21-22-20-14/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20,21,22).
What are the key properties of 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole?
5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 302.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 12002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).