5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C14H14N6 — CID 12003881

IUPAC5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESCc1ccc(C2Cc3[nH]nc(-c4nn[nH]n4)c3C2)cc1
InChIInChI=1S/C14H14N6/c1-8-2-4-9(5-3-8)10-6-11-12(7-10)15-16-13(11)14-17-19-20-18-14/h2-5,10H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
InChIKeyOYOGNLGPHLYTBC-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds2

About 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 12003881) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID12003881
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESCc1ccc(C2Cc3[nH]nc(-c4nn[nH]n4)c3C2)cc1
InChIInChI=1S/C14H14N6/c1-8-2-4-9(5-3-8)10-6-11-12(7-10)15-16-13(11)14-17-19-20-18-14/h2-5,10H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
InChIKeyOYOGNLGPHLYTBC-UHFFFAOYSA-N
XLogP1.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 12003881) is 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Cc1ccc(C2Cc3[nH]nc(-c4nn[nH]n4)c3C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is OYOGNLGPHLYTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-8-2-4-9(5-3-8)10-6-11-12(7-10)15-16-13(11)14-17-19-20-18-14/h2-5,10H,6-7H2,1H3,(H,15,16)(H,17,18,19,20).
What are the key properties of 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 266.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 12003881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).