5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

C10H17ClN6 — CID 90028989

IUPAC5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(CC(C)C)c1Cl
InChIInChI=1S/C10H17ClN6/c1-4-16-10(13-14-15-16)8-5-12-17(9(8)11)6-7(2)3/h5,7,14-15H,4,6H2,1-3H3
InChIKeyTVNKPMWHTXEUQZ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.20
Rot. Bonds4

About 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (PubChem CID 90028989) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
PubChem CID90028989
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCN1NNN=C1c1cnn(CC(C)C)c1Cl
InChIInChI=1S/C10H17ClN6/c1-4-16-10(13-14-15-16)8-5-12-17(9(8)11)6-7(2)3/h5,7,14-15H,4,6H2,1-3H3
InChIKeyTVNKPMWHTXEUQZ-UHFFFAOYSA-N
XLogP1.20
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.20
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-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (CID 90028989) is 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is CCN1NNN=C1c1cnn(CC(C)C)c1Cl.
What is the InChIKey of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The InChIKey is TVNKPMWHTXEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6/c1-4-16-10(13-14-15-16)8-5-12-17(9(8)11)6-7(2)3/h5,7,14-15H,4,6H2,1-3H3.
What are the key properties of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole has a molecular weight of 256.74 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is sourced from PubChem (CID 90028989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).