1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine

C12H17N3S — CID 79803102

IUPAC1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cscc2C)nn(C)c1N
InChIInChI=1S/C12H17N3S/c1-4-5-9-11(14-15(3)12(9)13)10-7-16-6-8(10)2/h6-7H,4-5,13H2,1-3H3
InChIKeyVTQOXVQFTFJRRY-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.99
Rot. Bonds3

About 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine

1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine (PubChem CID 79803102) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
PubChem CID79803102
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cscc2C)nn(C)c1N
InChIInChI=1S/C12H17N3S/c1-4-5-9-11(14-15(3)12(9)13)10-7-16-6-8(10)2/h6-7H,4-5,13H2,1-3H3
InChIKeyVTQOXVQFTFJRRY-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine (CID 79803102) is 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine is CCCc1c(-c2cscc2C)nn(C)c1N.
What is the InChIKey of 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine?
The InChIKey is VTQOXVQFTFJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-5-9-11(14-15(3)12(9)13)10-7-16-6-8(10)2/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine?
1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine has a molecular weight of 235.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylthiophen-3-yl)-4-propylpyrazol-5-amine is sourced from PubChem (CID 79803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).