3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide

C20H30N4O3 — CID 143092644

IUPAC3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide
SMILESCCc1ccc(OCC2CCC(CNC(=O)C3=CNN(C)C3N)OC2)cc1
InChIInChI=1S/C20H30N4O3/c1-3-14-4-7-16(8-5-14)26-12-15-6-9-17(27-13-15)10-22-20(25)18-11-23-24(2)19(18)21/h4-5,7-8,11,15,17,19,23H,3,6,9-10,12-13,21H2,1-2H3,(H,22,25)
InChIKeyDEQRHVWJCICILT-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.16
Rot. Bonds7

About 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide

3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide (PubChem CID 143092644) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide
PubChem CID143092644
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide
SMILESCCc1ccc(OCC2CCC(CNC(=O)C3=CNN(C)C3N)OC2)cc1
InChIInChI=1S/C20H30N4O3/c1-3-14-4-7-16(8-5-14)26-12-15-6-9-17(27-13-15)10-22-20(25)18-11-23-24(2)19(18)21/h4-5,7-8,11,15,17,19,23H,3,6,9-10,12-13,21H2,1-2H3,(H,22,25)
InChIKeyDEQRHVWJCICILT-UHFFFAOYSA-N
XLogP1.16
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide with MolForge

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Related Compounds

4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
CID 58923734
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
CID 162782627
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
N-[[(5S)-5-[2-(4-fluorophenoxy)ethyl]oxan-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58923704
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-ethylbenzamide
CID 94822361
[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
CID 143092721
(E)-3-amino-N-[[5-[(3-fluoro-4-methylphenoxy)methyl]oxan-2-yl]methyl]-2-methanimidoylprop-2-enamide
CID 143092629
[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
CID 129389570
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide (CID 143092644) is 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide is CCc1ccc(OCC2CCC(CNC(=O)C3=CNN(C)C3N)OC2)cc1.
What is the InChIKey of 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide?
The InChIKey is DEQRHVWJCICILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-14-4-7-16(8-5-14)26-12-15-6-9-17(27-13-15)10-22-20(25)18-11-23-24(2)19(18)21/h4-5,7-8,11,15,17,19,23H,3,6,9-10,12-13,21H2,1-2H3,(H,22,25).
What are the key properties of 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide?
3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 143092644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).