N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

C13H16N4OS — CID 91938267

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C13H16N4OS/c1-8-11(6-17(2)16-8)12(18)14-5-10-7-19-13(15-10)9-3-4-9/h6-7,9H,3-5H2,1-2H3,(H,14,18)
InChIKeyUALKFYMEIRGEKZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.99
Rot. Bonds4

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 91938267) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID91938267
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C13H16N4OS/c1-8-11(6-17(2)16-8)12(18)14-5-10-7-19-13(15-10)9-3-4-9/h6-7,9H,3-5H2,1-2H3,(H,14,18)
InChIKeyUALKFYMEIRGEKZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 91938267) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UALKFYMEIRGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-11(6-17(2)16-8)12(18)14-5-10-7-19-13(15-10)9-3-4-9/h6-7,9H,3-5H2,1-2H3,(H,14,18).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 91938267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).