1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine

C13H18ClN3S — CID 62128654

IUPAC1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)n2nc(C)c(Cl)c2C)s1
InChIInChI=1S/C13H18ClN3S/c1-7-5-6-11(18-7)13(8(2)15)17-10(4)12(14)9(3)16-17/h5-6,8,13H,15H2,1-4H3
InChIKeyUZVWOLDQJUZQIX-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine

1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 62128654) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID62128654
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)n2nc(C)c(Cl)c2C)s1
InChIInChI=1S/C13H18ClN3S/c1-7-5-6-11(18-7)13(8(2)15)17-10(4)12(14)9(3)16-17/h5-6,8,13H,15H2,1-4H3
InChIKeyUZVWOLDQJUZQIX-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine (CID 62128654) is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(C(C(C)N)n2nc(C)c(Cl)c2C)s1.
What is the InChIKey of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is UZVWOLDQJUZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-7-5-6-11(18-7)13(8(2)15)17-10(4)12(14)9(3)16-17/h5-6,8,13H,15H2,1-4H3.
What are the key properties of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 283.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 62128654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).