N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide

C11H12N4OS — CID 33303284

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H12N4OS/c16-10(6-15-5-1-4-12-15)14-11-13-9(7-17-11)8-2-3-8/h1,4-5,7-8H,2-3,6H2,(H,13,14,16)
InChIKeyOOXRMXMIFHUPFT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.86
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide (PubChem CID 33303284) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
PubChem CID33303284
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H12N4OS/c16-10(6-15-5-1-4-12-15)14-11-13-9(7-17-11)8-2-3-8/h1,4-5,7-8H,2-3,6H2,(H,13,14,16)
InChIKeyOOXRMXMIFHUPFT-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide (CID 33303284) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is OOXRMXMIFHUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-10(6-15-5-1-4-12-15)14-11-13-9(7-17-11)8-2-3-8/h1,4-5,7-8H,2-3,6H2,(H,13,14,16).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 248.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 33303284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).