1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one

C20H21N7O2 — CID 144976841

IUPAC1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one
SMILESCOc1ccc(-c2ccn(-c3ccc(C)c(Cn4nnn(C)c4=O)c3)n2)c(C)n1
InChIInChI=1S/C20H21N7O2/c1-13-5-6-16(11-15(13)12-27-20(28)25(3)23-24-27)26-10-9-18(22-26)17-7-8-19(29-4)21-14(17)2/h5-11H,12H2,1-4H3
InChIKeyRFYXCESDAQPILR-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.90
Rot. Bonds5

About 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one

1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one (PubChem CID 144976841) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one
PubChem CID144976841
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one
SMILESCOc1ccc(-c2ccn(-c3ccc(C)c(Cn4nnn(C)c4=O)c3)n2)c(C)n1
InChIInChI=1S/C20H21N7O2/c1-13-5-6-16(11-15(13)12-27-20(28)25(3)23-24-27)26-10-9-18(22-26)17-7-8-19(29-4)21-14(17)2/h5-11H,12H2,1-4H3
InChIKeyRFYXCESDAQPILR-UHFFFAOYSA-N
XLogP1.90
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one (CID 144976841) is 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one is COc1ccc(-c2ccn(-c3ccc(C)c(Cn4nnn(C)c4=O)c3)n2)c(C)n1.
What is the InChIKey of 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one?
The InChIKey is RFYXCESDAQPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-13-5-6-16(11-15(13)12-27-20(28)25(3)23-24-27)26-10-9-18(22-26)17-7-8-19(29-4)21-14(17)2/h5-11H,12H2,1-4H3.
What are the key properties of 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one?
1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one has a molecular weight of 391.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(6-methoxy-2-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 144976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).