N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C13H16N4O2S — CID 128968081

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1ncsc1CNC(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)5-14-13(18)10-4-16-17-12(10)9-2-3-19-6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyAORJHQXFDIRKKW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 128968081) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID128968081
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1ncsc1CNC(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)5-14-13(18)10-4-16-17-12(10)9-2-3-19-6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyAORJHQXFDIRKKW-UHFFFAOYSA-N
XLogP1.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 128968081) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is Cc1ncsc1CNC(=O)c1cn[nH]c1C1CCOC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AORJHQXFDIRKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)5-14-13(18)10-4-16-17-12(10)9-2-3-19-6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128968081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).