1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide

C20H19N7O2 — CID 136524555

IUPAC1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3cccc(-c4nnnn4C)c3)cn2)cc1
InChIInChI=1S/C20H19N7O2/c1-26-19(23-24-25-26)15-4-3-5-17(10-15)22-20(28)16-11-21-27(13-16)12-14-6-8-18(29-2)9-7-14/h3-11,13H,12H2,1-2H3,(H,22,28)
InChIKeyURSXAQZYALHAAR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.38
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 136524555) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
PubChem CID136524555
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3cccc(-c4nnnn4C)c3)cn2)cc1
InChIInChI=1S/C20H19N7O2/c1-26-19(23-24-25-26)15-4-3-5-17(10-15)22-20(28)16-11-21-27(13-16)12-14-6-8-18(29-2)9-7-14/h3-11,13H,12H2,1-2H3,(H,22,28)
InChIKeyURSXAQZYALHAAR-UHFFFAOYSA-N
XLogP2.38
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-methyl-1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 46700138
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 9324775
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
CID 41360681
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932560
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41478904
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide (CID 136524555) is 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)Nc3cccc(-c4nnnn4C)c3)cn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is URSXAQZYALHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-26-19(23-24-25-26)15-4-3-5-17(10-15)22-20(28)16-11-21-27(13-16)12-14-6-8-18(29-2)9-7-14/h3-11,13H,12H2,1-2H3,(H,22,28).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136524555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).