1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine

C16H17N3S — CID 83222416

IUPAC1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H17N3S/c1-11-4-3-5-13(8-11)9-19-10-14(17)16(18-19)15-7-6-12(2)20-15/h3-8,10H,9,17H2,1-2H3
InChIKeyZUIJZQOXDLZEKW-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine

1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83222416) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83222416
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H17N3S/c1-11-4-3-5-13(8-11)9-19-10-14(17)16(18-19)15-7-6-12(2)20-15/h3-8,10H,9,17H2,1-2H3
InChIKeyZUIJZQOXDLZEKW-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223015
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
1-[(2-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223316
3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
CID 83223172
3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83222255
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 107354952
1-(3,5-dimethylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83217228

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine (CID 83222416) is 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(-c3ccc(C)s3)n2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is ZUIJZQOXDLZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-4-3-5-13(8-11)9-19-10-14(17)16(18-19)15-7-6-12(2)20-15/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83222416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).