4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

C16H17N3OS — CID 43158661

IUPAC4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(C)s3)nn(C)c2N)cc1
InChIInChI=1S/C16H17N3OS/c1-10-4-9-13(21-10)15-14(16(17)19(2)18-15)11-5-7-12(20-3)8-6-11/h4-9H,17H2,1-3H3
InChIKeyIUNCFXSWGAKXTA-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine

4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (PubChem CID 43158661) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
PubChem CID43158661
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(C)s3)nn(C)c2N)cc1
InChIInChI=1S/C16H17N3OS/c1-10-4-9-13(21-10)15-14(16(17)19(2)18-15)11-5-7-12(20-3)8-6-11/h4-9H,17H2,1-3H3
InChIKeyIUNCFXSWGAKXTA-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine (CID 43158661) is 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is COc1ccc(-c2c(-c3ccc(C)s3)nn(C)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The InChIKey is IUNCFXSWGAKXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-4-9-13(21-10)15-14(16(17)19(2)18-15)11-5-7-12(20-3)8-6-11/h4-9H,17H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43158661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).