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

C9H13ClN6 — CID 90021061

IUPAC5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole
SMILESCCn1ncc(-c2nnn(C(C)C)n2)c1Cl
InChIInChI=1S/C9H13ClN6/c1-4-15-8(10)7(5-11-15)9-12-14-16(13-9)6(2)3/h5-6H,4H2,1-3H3
InChIKeyWCTWCPPLLIMAGX-UHFFFAOYSA-N
MW240.70 g/mol
LogP1.79
Rot. Bonds3

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

5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole (PubChem CID 90021061) has the molecular formula C9H13ClN6 and a molecular weight of 240.70 g/mol. Its IUPAC name is 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole
PubChem CID90021061
Molecular FormulaC9H13ClN6
Molecular Weight240.70 g/mol
Exact Mass240.09
IUPAC Name5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole
SMILESCCn1ncc(-c2nnn(C(C)C)n2)c1Cl
InChIInChI=1S/C9H13ClN6/c1-4-15-8(10)7(5-11-15)9-12-14-16(13-9)6(2)3/h5-6H,4H2,1-3H3
InChIKeyWCTWCPPLLIMAGX-UHFFFAOYSA-N
XLogP1.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 51.79
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-ethylpyrazol-4-yl)-2-propan-2-yltetrazole?
The IUPAC name of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole (CID 90021061) is 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole.
What is the SMILES notation for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole?
The canonical SMILES for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole is CCn1ncc(-c2nnn(C(C)C)n2)c1Cl.
What is the InChIKey of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole?
The InChIKey is WCTWCPPLLIMAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN6/c1-4-15-8(10)7(5-11-15)9-12-14-16(13-9)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole?
5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole has a molecular weight of 240.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-propan-2-yltetrazole is sourced from PubChem (CID 90021061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).