5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole

C7H11ClN6 — CID 90029070

IUPAC5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(C)c1Cl
InChIInChI=1S/C7H11ClN6/c1-3-14-7(10-11-12-14)5-4-9-13(2)6(5)8/h4,11-12H,3H2,1-2H3
InChIKeyOTLLCFAHGMTPDG-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.08
Rot. Bonds2

About 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole

5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole (PubChem CID 90029070) has the molecular formula C7H11ClN6 and a molecular weight of 214.66 g/mol. Its IUPAC name is 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole
PubChem CID90029070
Molecular FormulaC7H11ClN6
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(C)c1Cl
InChIInChI=1S/C7H11ClN6/c1-3-14-7(10-11-12-14)5-4-9-13(2)6(5)8/h4,11-12H,3H2,1-2H3
InChIKeyOTLLCFAHGMTPDG-UHFFFAOYSA-N
XLogP0.08
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole?
The IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole (CID 90029070) is 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole is CCN1NNN=C1c1cnn(C)c1Cl.
What is the InChIKey of 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole?
The InChIKey is OTLLCFAHGMTPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6/c1-3-14-7(10-11-12-14)5-4-9-13(2)6(5)8/h4,11-12H,3H2,1-2H3.
What are the key properties of 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole?
5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole has a molecular weight of 214.66 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole is sourced from PubChem (CID 90029070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).