1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine

C18H19N3O — CID 970025

IUPAC1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N3O/c1-13-17(15-8-10-16(22-2)11-9-15)18(19)21(20-13)12-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3
InChIKeyFDTXVGCGKCTZTD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.50
Rot. Bonds4

About 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine

1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine (PubChem CID 970025) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
PubChem CID970025
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N3O/c1-13-17(15-8-10-16(22-2)11-9-15)18(19)21(20-13)12-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3
InChIKeyFDTXVGCGKCTZTD-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
2-amino-1-benzyl-5-(4-methoxyphenyl)-4-phenylpyrrole-3-carbonitrile
CID 59536507
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
2-benzyl-6-methyl-4-methylsulfonyl-5-phenylpyridazin-3-one
CID 118977463
1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
CID 53416531
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine (CID 970025) is 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine is COc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine?
The InChIKey is FDTXVGCGKCTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-17(15-8-10-16(22-2)11-9-15)18(19)21(20-13)12-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine?
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 970025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).