3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide

C9H10N4OS — CID 167749937

IUPAC3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2nccs2)cn1
InChIInChI=1S/C9H10N4OS/c10-8(14)1-3-13-6-7(5-12-13)9-11-2-4-15-9/h2,4-6H,1,3H2,(H2,10,14)
InChIKeyWLEJHXGFURGCLZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.88
Rot. Bonds4

About 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide

3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide (PubChem CID 167749937) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide
PubChem CID167749937
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2nccs2)cn1
InChIInChI=1S/C9H10N4OS/c10-8(14)1-3-13-6-7(5-12-13)9-11-2-4-15-9/h2,4-6H,1,3H2,(H2,10,14)
InChIKeyWLEJHXGFURGCLZ-UHFFFAOYSA-N
XLogP0.88
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide (CID 167749937) is 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide is NC(=O)CCn1cc(-c2nccs2)cn1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide?
The InChIKey is WLEJHXGFURGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-8(14)1-3-13-6-7(5-12-13)9-11-2-4-15-9/h2,4-6H,1,3H2,(H2,10,14).
What are the key properties of 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide?
3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide has a molecular weight of 222.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 167749937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).