5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole

C11H11ClN6 — CID 90030224

IUPAC5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H11ClN6/c1-17-11(14-15-16-17)8-6-13-18(7-8)10-4-2-9(12)3-5-10/h2-7,15-16H,1H3
InChIKeyPEIKDSOFDCDDAO-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.14
Rot. Bonds2

About 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole

5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole (PubChem CID 90030224) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
PubChem CID90030224
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H11ClN6/c1-17-11(14-15-16-17)8-6-13-18(7-8)10-4-2-9(12)3-5-10/h2-7,15-16H,1H3
InChIKeyPEIKDSOFDCDDAO-UHFFFAOYSA-N
XLogP1.14
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole (CID 90030224) is 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole is CN1NNN=C1c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The InChIKey is PEIKDSOFDCDDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c1-17-11(14-15-16-17)8-6-13-18(7-8)10-4-2-9(12)3-5-10/h2-7,15-16H,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole has a molecular weight of 262.70 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole is sourced from PubChem (CID 90030224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).