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

C13H16N4O2S — CID 128972334

IUPACN-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C13H16N4O2S/c1-17(5-10-7-20-8-14-10)13(18)11-4-15-16-12(11)9-2-3-19-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyRKLLJTCRLOYIOA-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds4

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

N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 128972334) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID128972334
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C13H16N4O2S/c1-17(5-10-7-20-8-14-10)13(18)11-4-15-16-12(11)9-2-3-19-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyRKLLJTCRLOYIOA-UHFFFAOYSA-N
XLogP1.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 128972334) is N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide is CN(Cc1cscn1)C(=O)c1cn[nH]c1C1CCOC1.
What is the InChIKey of N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RKLLJTCRLOYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(5-10-7-20-8-14-10)13(18)11-4-15-16-12(11)9-2-3-19-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128972334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).