4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

C17H19N3O — CID 65153436

IUPAC4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2c(C)oc(C)c2C)c1
InChIInChI=1S/C17H19N3O/c1-9-6-5-7-13(8-9)15-16(19-20-17(15)18)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H3,18,19,20)
InChIKeyGVUNKZDLGUMYNC-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.15
Rot. Bonds2

About 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 65153436) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID65153436
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2c(C)oc(C)c2C)c1
InChIInChI=1S/C17H19N3O/c1-9-6-5-7-13(8-9)15-16(19-20-17(15)18)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H3,18,19,20)
InChIKeyGVUNKZDLGUMYNC-UHFFFAOYSA-N
XLogP4.15
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292
4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153045
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
CID 63078890
5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 65238708
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821031

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 65153436) is 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2-c2c(C)oc(C)c2C)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is GVUNKZDLGUMYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-9-6-5-7-13(8-9)15-16(19-20-17(15)18)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H3,18,19,20).
What are the key properties of 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 281.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65153436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).