5-(1-phenylpyrazol-4-yl)-2H-tetrazole

C10H8N6 — CID 71519406

IUPAC5-(1-phenylpyrazol-4-yl)-2H-tetrazole
SMILESc1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-7-8(6-11-16)10-12-14-15-13-10/h1-7H,(H,12,13,14,15)
InChIKeyURRQYFJKCGDMTH-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.05
Rot. Bonds2

About 5-(1-phenylpyrazol-4-yl)-2H-tetrazole

5-(1-phenylpyrazol-4-yl)-2H-tetrazole (PubChem CID 71519406) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-(1-phenylpyrazol-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-phenylpyrazol-4-yl)-2H-tetrazole
PubChem CID71519406
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-(1-phenylpyrazol-4-yl)-2H-tetrazole
SMILESc1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-7-8(6-11-16)10-12-14-15-13-10/h1-7H,(H,12,13,14,15)
InChIKeyURRQYFJKCGDMTH-UHFFFAOYSA-N
XLogP1.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-1H-pyrazol-3-amine
CID 594320
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
1-(2-chlorophenyl)-4-(1H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-3-amine
CID 2806140
5-[5-nitro-2-(1H-pyrazol-1-yl)phenyl]-1H-tetrazole
CID 593441
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
N,N-dimethyl-5-(4-pyrazol-1-ylphenyl)tetrazole-2-carboxamide
CID 72197979
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
Pyrazole, 3-(dimethylamino)-1-phenyl-
CID 209328
1-phenyl-1H-pyrazol-3-amine hydrochloride
CID 2860831
(1-phenyl-1H-pyrazol-4-yl)methanamine
CID 4327684
4-methyl-1-phenyl-1H-pyrazol-3-amine
CID 12847947

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpyrazol-4-yl)-2H-tetrazole?
The IUPAC name of 5-(1-phenylpyrazol-4-yl)-2H-tetrazole (CID 71519406) is 5-(1-phenylpyrazol-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-phenylpyrazol-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-phenylpyrazol-4-yl)-2H-tetrazole is c1ccc(-n2cc(-c3nn[nH]n3)cn2)cc1.
What is the InChIKey of 5-(1-phenylpyrazol-4-yl)-2H-tetrazole?
The InChIKey is URRQYFJKCGDMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-7-8(6-11-16)10-12-14-15-13-10/h1-7H,(H,12,13,14,15).
What are the key properties of 5-(1-phenylpyrazol-4-yl)-2H-tetrazole?
5-(1-phenylpyrazol-4-yl)-2H-tetrazole has a molecular weight of 212.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpyrazol-4-yl)-2H-tetrazole is sourced from PubChem (CID 71519406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).