N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H18N6OS2 — CID 90570791

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cc(-c4cccs4)[nH]n3)cs2)n1
InChIInChI=1S/C18H18N6OS2/c1-11-8-12(2)24(23-11)18-20-13(10-27-18)5-6-19-17(25)15-9-14(21-22-15)16-4-3-7-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,25)(H,21,22)
InChIKeySLUPZGLQXXZOLF-UHFFFAOYSA-N
MW398.52 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 90570791) has the molecular formula C18H18N6OS2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID90570791
Molecular FormulaC18H18N6OS2
Molecular Weight398.52 g/mol
Exact Mass398.10
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cc(-c4cccs4)[nH]n3)cs2)n1
InChIInChI=1S/C18H18N6OS2/c1-11-8-12(2)24(23-11)18-20-13(10-27-18)5-6-19-17(25)15-9-14(21-22-15)16-4-3-7-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,25)(H,21,22)
InChIKeySLUPZGLQXXZOLF-UHFFFAOYSA-N
XLogP3.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 90570791) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3cc(-c4cccs4)[nH]n3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SLUPZGLQXXZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS2/c1-11-8-12(2)24(23-11)18-20-13(10-27-18)5-6-19-17(25)15-9-14(21-22-15)16-4-3-7-26-16/h3-4,7-10H,5-6H2,1-2H3,(H,19,25)(H,21,22).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90570791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).