1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole

C21H22N6O — CID 153183690

IUPAC1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole
SMILESC=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H22N6O/c1-15-8-10-18(11-9-15)26-13-12-21(22-26)28-14-19-16(2)6-5-7-20(19)27-17(3)25(4)23-24-27/h5-13H,3,14H2,1-2,4H3
InChIKeyWGQYGFFBFHWUIU-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.57
Rot. Bonds5

About 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole

1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole (PubChem CID 153183690) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole
PubChem CID153183690
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole
SMILESC=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H22N6O/c1-15-8-10-18(11-9-15)26-13-12-21(22-26)28-14-19-16(2)6-5-7-20(19)27-17(3)25(4)23-24-27/h5-13H,3,14H2,1-2,4H3
InChIKeyWGQYGFFBFHWUIU-UHFFFAOYSA-N
XLogP4.57
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole?
The IUPAC name of 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole (CID 153183690) is 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole.
What is the SMILES notation for 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole?
The canonical SMILES for 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole is C=C1N(C)N=NN1c1cccc(C)c1COc1ccn(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole?
The InChIKey is WGQYGFFBFHWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-8-10-18(11-9-15)26-13-12-21(22-26)28-14-19-16(2)6-5-7-20(19)27-17(3)25(4)23-24-27/h5-13H,3,14H2,1-2,4H3.
What are the key properties of 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole?
1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole has a molecular weight of 374.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole is sourced from PubChem (CID 153183690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).