1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole

C20H19ClN6O — CID 142494394

IUPAC1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole
SMILESC=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN6O/c1-14-5-4-6-19(27-15(2)25(3)23-24-27)18(14)13-28-20-11-12-26(22-20)17-9-7-16(21)8-10-17/h4-12H,2,13H2,1,3H3
InChIKeyCVMZPHHIXJKWHE-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.92
Rot. Bonds5

About 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole

1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole (PubChem CID 142494394) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole.

Molecular Properties

Compound Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole
PubChem CID142494394
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole
SMILESC=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN6O/c1-14-5-4-6-19(27-15(2)25(3)23-24-27)18(14)13-28-20-11-12-26(22-20)17-9-7-16(21)8-10-17/h4-12H,2,13H2,1,3H3
InChIKeyCVMZPHHIXJKWHE-UHFFFAOYSA-N
XLogP4.92
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole?
The IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole (CID 142494394) is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole.
What is the SMILES notation for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole?
The canonical SMILES for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole is C=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole?
The InChIKey is CVMZPHHIXJKWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-14-5-4-6-19(27-15(2)25(3)23-24-27)18(14)13-28-20-11-12-26(22-20)17-9-7-16(21)8-10-17/h4-12H,2,13H2,1,3H3.
What are the key properties of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole?
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole has a molecular weight of 394.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole is sourced from PubChem (CID 142494394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).