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

C13H17N3S — CID 83217395

IUPAC1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(C(C)C3CC3)cc2N)s1
InChIInChI=1S/C13H17N3S/c1-8-3-6-12(17-8)13-11(14)7-16(15-13)9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3
InChIKeyIGHLDXWEENUXFA-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.47
Rot. Bonds3

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

1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83217395) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83217395
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(C(C)C3CC3)cc2N)s1
InChIInChI=1S/C13H17N3S/c1-8-3-6-12(17-8)13-11(14)7-16(15-13)9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3
InChIKeyIGHLDXWEENUXFA-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (CID 83217395) is 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccc(-c2nn(C(C)C3CC3)cc2N)s1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is IGHLDXWEENUXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-3-6-12(17-8)13-11(14)7-16(15-13)9(2)10-4-5-10/h3,6-7,9-10H,4-5,14H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83217395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).