5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine

C17H17N3O — CID 6456520

IUPAC5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-21-14-9-7-13(8-10-14)16-15(19-20-17(16)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20)
InChIKeyPYJGYNQRXFUXMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

About 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine

5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 6456520) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID6456520
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-21-14-9-7-13(8-10-14)16-15(19-20-17(16)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20)
InChIKeyPYJGYNQRXFUXMQ-UHFFFAOYSA-N
XLogP3.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine 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

1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 160984781
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91339578
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 6456520) is 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is PYJGYNQRXFUXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-14-9-7-13(8-10-14)16-15(19-20-17(16)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20).
What are the key properties of 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine?
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 279.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 6456520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).