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

C16H17N3S — CID 43158510

IUPAC1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccc2C)s1
InChIInChI=1S/C16H17N3S/c1-10-6-4-5-7-12(10)14-15(18-19(3)16(14)17)13-9-8-11(2)20-13/h4-9H,17H2,1-3H3
InChIKeyDAHWKNPXFHAXMO-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.01
Rot. Bonds2

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

1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine (PubChem CID 43158510) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
PubChem CID43158510
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccc2C)s1
InChIInChI=1S/C16H17N3S/c1-10-6-4-5-7-12(10)14-15(18-19(3)16(14)17)13-9-8-11(2)20-13/h4-9H,17H2,1-3H3
InChIKeyDAHWKNPXFHAXMO-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
3-(4-iodophenyl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 43336269
3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 79693790
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 79977683
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
1-methyl-4-(2-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 43336276
1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055
3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
CID 62277257
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521046
4-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-amine
CID 62277454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine (CID 43158510) is 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2-c2ccccc2C)s1.
What is the InChIKey of 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
The InChIKey is DAHWKNPXFHAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-6-4-5-7-12(10)14-15(18-19(3)16(14)17)13-9-8-11(2)20-13/h4-9H,17H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine?
1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43158510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).