5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole

C10H8N6 — CID 141379105

IUPAC5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1cc(-c2ccc(-c3nn[nH]n3)cc2)[nH]n1
InChIInChI=1S/C10H8N6/c1-3-8(10-13-15-16-14-10)4-2-7(1)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14,15,16)
InChIKeyYSJBVLAQIONZOQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.26
Rot. Bonds2

About 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole

5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole (PubChem CID 141379105) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole
PubChem CID141379105
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1cc(-c2ccc(-c3nn[nH]n3)cc2)[nH]n1
InChIInChI=1S/C10H8N6/c1-3-8(10-13-15-16-14-10)4-2-7(1)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14,15,16)
InChIKeyYSJBVLAQIONZOQ-UHFFFAOYSA-N
XLogP1.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole (CID 141379105) is 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole is c1cc(-c2ccc(-c3nn[nH]n3)cc2)[nH]n1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The InChIKey is YSJBVLAQIONZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-3-8(10-13-15-16-14-10)4-2-7(1)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14,15,16).
What are the key properties of 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole has a molecular weight of 212.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-yl)phenyl]-2H-tetrazole is sourced from PubChem (CID 141379105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).