5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole

C8H11ClN6 — CID 90021030

IUPAC5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2cnn(C)c2Cl)n1
InChIInChI=1S/C8H11ClN6/c1-5(2)15-12-8(11-13-15)6-4-10-14(3)7(6)9/h4-5H,1-3H3
InChIKeyJQVWTUJKAZAESP-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.31
Rot. Bonds2

About 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole

5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole (PubChem CID 90021030) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole
PubChem CID90021030
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2cnn(C)c2Cl)n1
InChIInChI=1S/C8H11ClN6/c1-5(2)15-12-8(11-13-15)6-4-10-14(3)7(6)9/h4-5H,1-3H3
InChIKeyJQVWTUJKAZAESP-UHFFFAOYSA-N
XLogP1.31
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole?
The IUPAC name of 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole (CID 90021030) is 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole.
What is the SMILES notation for 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole?
The canonical SMILES for 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole is CC(C)n1nnc(-c2cnn(C)c2Cl)n1.
What is the InChIKey of 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole?
The InChIKey is JQVWTUJKAZAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6/c1-5(2)15-12-8(11-13-15)6-4-10-14(3)7(6)9/h4-5H,1-3H3.
What are the key properties of 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole?
5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole has a molecular weight of 226.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylpyrazol-4-yl)-2-propan-2-yltetrazole is sourced from PubChem (CID 90021030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).