5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole

C16H14N6 — CID 139267128

IUPAC5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1
InChIInChI=1S/C16H14N6/c1-2-4-11(5-3-1)14-10-15(18-17-14)12-6-8-13(9-7-12)16-19-21-22-20-16/h1-9,15,18H,10H2,(H,19,20,21,22)
InChIKeyVYZICBWKZQYUKQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.31
Rot. Bonds3

About 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole

5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole (PubChem CID 139267128) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
PubChem CID139267128
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1
InChIInChI=1S/C16H14N6/c1-2-4-11(5-3-1)14-10-15(18-17-14)12-6-8-13(9-7-12)16-19-21-22-20-16/h1-9,15,18H,10H2,(H,19,20,21,22)
InChIKeyVYZICBWKZQYUKQ-UHFFFAOYSA-N
XLogP2.31
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
CID 139267181
2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 139267186
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
CID 95861300
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 158761008

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole (CID 139267128) is 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole is c1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1.
What is the InChIKey of 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
The InChIKey is VYZICBWKZQYUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-2-4-11(5-3-1)14-10-15(18-17-14)12-6-8-13(9-7-12)16-19-21-22-20-16/h1-9,15,18H,10H2,(H,19,20,21,22).
What are the key properties of 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole?
5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole has a molecular weight of 290.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole is sourced from PubChem (CID 139267128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).