N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C18H21N3O3 — CID 131902441

IUPACN,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)OCCO1
InChIInChI=1S/C18H21N3O3/c1-12(21(3)18(22)17-13(2)23-9-10-24-17)15-11-16(20-19-15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyQITKZFIAKVBICA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds4

About N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131902441) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131902441
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)OCCO1
InChIInChI=1S/C18H21N3O3/c1-12(21(3)18(22)17-13(2)23-9-10-24-17)15-11-16(20-19-15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyQITKZFIAKVBICA-UHFFFAOYSA-N
XLogP2.87
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97446078
2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 26339421
5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
CID 74235393
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081
2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
CID 105469690
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
CID 126433353
3-(3-methoxy-2,2-dimethylpropyl)-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 125446420
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 126429865
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 91834243
N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78853229

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131902441) is N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)N(C)C(C)c2cc(-c3ccccc3)n[nH]2)OCCO1.
What is the InChIKey of N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QITKZFIAKVBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(21(3)18(22)17-13(2)23-9-10-24-17)15-11-16(20-19-15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131902441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).