5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole

C5H5ClN6 — CID 90020835

IUPAC5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole
SMILESCn1ncc(-c2nn[nH]n2)c1Cl
InChIInChI=1S/C5H5ClN6/c1-12-4(6)3(2-7-12)5-8-10-11-9-5/h2H,1H3,(H,8,9,10,11)
InChIKeyYFNDSCVKPUGLJH-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.25
Rot. Bonds1

About 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole

5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole (PubChem CID 90020835) has the molecular formula C5H5ClN6 and a molecular weight of 184.59 g/mol. Its IUPAC name is 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole
PubChem CID90020835
Molecular FormulaC5H5ClN6
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole
SMILESCn1ncc(-c2nn[nH]n2)c1Cl
InChIInChI=1S/C5H5ClN6/c1-12-4(6)3(2-7-12)5-8-10-11-9-5/h2H,1H3,(H,8,9,10,11)
InChIKeyYFNDSCVKPUGLJH-UHFFFAOYSA-N
XLogP0.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole?
The IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole (CID 90020835) is 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole is Cn1ncc(-c2nn[nH]n2)c1Cl.
What is the InChIKey of 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole?
The InChIKey is YFNDSCVKPUGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN6/c1-12-4(6)3(2-7-12)5-8-10-11-9-5/h2H,1H3,(H,8,9,10,11).
What are the key properties of 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole?
5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole has a molecular weight of 184.59 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylpyrazol-4-yl)-2H-tetrazole is sourced from PubChem (CID 90020835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).