5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole

C10H16N6 — CID 70846550

IUPAC5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole
SMILESCC(C)c1cnn(CCCc2nn[nH]n2)c1
InChIInChI=1S/C10H16N6/c1-8(2)9-6-11-16(7-9)5-3-4-10-12-14-15-13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyNSMVRRNQTIJPEQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.15
Rot. Bonds5

About 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole

5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole (PubChem CID 70846550) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole
PubChem CID70846550
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole
SMILESCC(C)c1cnn(CCCc2nn[nH]n2)c1
InChIInChI=1S/C10H16N6/c1-8(2)9-6-11-16(7-9)5-3-4-10-12-14-15-13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyNSMVRRNQTIJPEQ-UHFFFAOYSA-N
XLogP1.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole?
The IUPAC name of 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole (CID 70846550) is 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole is CC(C)c1cnn(CCCc2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole?
The InChIKey is NSMVRRNQTIJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8(2)9-6-11-16(7-9)5-3-4-10-12-14-15-13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole?
5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole has a molecular weight of 220.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole is sourced from PubChem (CID 70846550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).