5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

C17H20N4O5 — CID 154748867

IUPAC5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]c2NC(=O)C2COCCO2)cc1
InChIInChI=1S/C17H20N4O5/c1-24-12-4-2-11(3-5-12)8-18-16(22)13-9-19-21-15(13)20-17(23)14-10-25-6-7-26-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyFYJDNFLPIARUGP-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.70
Rot. Bonds6

About 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 154748867) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID154748867
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn[nH]c2NC(=O)C2COCCO2)cc1
InChIInChI=1S/C17H20N4O5/c1-24-12-4-2-11(3-5-12)8-18-16(22)13-9-19-21-15(13)20-17(23)14-10-25-6-7-26-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyFYJDNFLPIARUGP-UHFFFAOYSA-N
XLogP0.70
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94180635
5-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 167808643
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 63258036
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
4-[4-fluoro-3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888943
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704
(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
CID 125143390

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 154748867) is 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cn[nH]c2NC(=O)C2COCCO2)cc1.
What is the InChIKey of 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FYJDNFLPIARUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-24-12-4-2-11(3-5-12)8-18-16(22)13-9-19-21-15(13)20-17(23)14-10-25-6-7-26-14/h2-5,9,14H,6-8,10H2,1H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxane-2-carbonylamino)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154748867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).