4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine

C17H17N3 — CID 62829235

IUPAC4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H17N3/c1-11-6-8-13(9-7-11)16-15(17(18)20-19-16)14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H3,18,19,20)
InChIKeyJTECKMPJGJSYFU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.94
Rot. Bonds2

About 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine

4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62829235) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62829235
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H17N3/c1-11-6-8-13(9-7-11)16-15(17(18)20-19-16)14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H3,18,19,20)
InChIKeyJTECKMPJGJSYFU-UHFFFAOYSA-N
XLogP3.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine (CID 62829235) is 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2cccc(C)c2)cc1.
What is the InChIKey of 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is JTECKMPJGJSYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-6-8-13(9-7-11)16-15(17(18)20-19-16)14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H3,18,19,20).
What are the key properties of 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine?
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 263.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).