5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole

C7H10N6 — CID 11693991

IUPAC5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole
SMILESCC(C)c1cc(-c2nn[nH]n2)n[nH]1
InChIInChI=1S/C7H10N6/c1-4(2)5-3-6(9-8-5)7-10-12-13-11-7/h3-4H,1-2H3,(H,8,9)(H,10,11,12,13)
InChIKeyHEPHDXKADNILNS-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.71
Rot. Bonds2

About 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole

5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole (PubChem CID 11693991) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole
PubChem CID11693991
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole
SMILESCC(C)c1cc(-c2nn[nH]n2)n[nH]1
InChIInChI=1S/C7H10N6/c1-4(2)5-3-6(9-8-5)7-10-12-13-11-7/h3-4H,1-2H3,(H,8,9)(H,10,11,12,13)
InChIKeyHEPHDXKADNILNS-UHFFFAOYSA-N
XLogP0.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methyl-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433527
5-(5-propyl-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433528
5-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433529
5-(5-butyl-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433530
5-(5-ethyl-4-fluoro-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433532
5-(5-cyclopropyl-4-fluoro-1H-pyrazol-3-yl)-1H-tetrazole
CID 44433533
3-(propan-2-yl)-1H-pyrazol-5-amine
CID 2769527
3-(2-methylpropyl)-1H-pyrazol-5-amine
CID 23552428
3-sec-Butyl-1H-pyrazol-5-amine
CID 12209634
3-(pentan-3-yl)-1H-pyrazol-5-amine
CID 12872100
(5-propan-2-yl-1H-pyrazol-3-yl)hydrazine
CID 13878478
3-Amino-5-isopropyl-1H-pyrazole hydrochloride
CID 53400808

Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole?
The IUPAC name of 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole (CID 11693991) is 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole is CC(C)c1cc(-c2nn[nH]n2)n[nH]1.
What is the InChIKey of 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole?
The InChIKey is HEPHDXKADNILNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-4(2)5-3-6(9-8-5)7-10-12-13-11-7/h3-4H,1-2H3,(H,8,9)(H,10,11,12,13).
What are the key properties of 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole?
5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole has a molecular weight of 178.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-yl-1H-pyrazol-3-yl)-2H-tetrazole is sourced from PubChem (CID 11693991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).