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

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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).