5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole

C8H12N6 — CID 64772026

IUPAC5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole
SMILESCC(C)n1ccc(Cc2nn[nH]n2)n1
InChIInChI=1S/C8H12N6/c1-6(2)14-4-3-7(11-14)5-8-9-12-13-10-8/h3-4,6H,5H2,1-2H3,(H,9,10,12,13)
InChIKeyNXVRLZSQZOHYCQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.57
Rot. Bonds3

About 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole

5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole (PubChem CID 64772026) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole
PubChem CID64772026
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole
SMILESCC(C)n1ccc(Cc2nn[nH]n2)n1
InChIInChI=1S/C8H12N6/c1-6(2)14-4-3-7(11-14)5-8-9-12-13-10-8/h3-4,6H,5H2,1-2H3,(H,9,10,12,13)
InChIKeyNXVRLZSQZOHYCQ-UHFFFAOYSA-N
XLogP0.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole
CID 107044018
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
N,3-dimethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 114221982
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
CID 106798253
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-(1-propan-2-ylpyrazol-3-yl)ethylhydrazine
CID 105220698
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105433573
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 64873058

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole (CID 64772026) is 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole is CC(C)n1ccc(Cc2nn[nH]n2)n1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole?
The InChIKey is NXVRLZSQZOHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6(2)14-4-3-7(11-14)5-8-9-12-13-10-8/h3-4,6H,5H2,1-2H3,(H,9,10,12,13).
What are the key properties of 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole?
5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole has a molecular weight of 192.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-3-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 64772026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).