N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C13H16N4O2S — CID 128965587

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8-16-10(7-20-8)4-14-13(18)11-5-15-17-12(11)9-2-3-19-6-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyXKMDFNQCBWDLDC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.61
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 128965587) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID128965587
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8-16-10(7-20-8)4-14-13(18)11-5-15-17-12(11)9-2-3-19-6-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyXKMDFNQCBWDLDC-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-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 128965587) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XKMDFNQCBWDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-16-10(7-20-8)4-14-13(18)11-5-15-17-12(11)9-2-3-19-6-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128965587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).