1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C19H26N4O3 — CID 126780314

IUPAC1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCCOc1ccc2c(c1)C(NC(=O)NCc1c(C)nn(C)c1C)CCO2
InChIInChI=1S/C19H26N4O3/c1-5-25-14-6-7-18-15(10-14)17(8-9-26-18)21-19(24)20-11-16-12(2)22-23(4)13(16)3/h6-7,10,17H,5,8-9,11H2,1-4H3,(H2,20,21,24)
InChIKeyIIRLZALYRXSSPT-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.76
Rot. Bonds5

About 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 126780314) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID126780314
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCCOc1ccc2c(c1)C(NC(=O)NCc1c(C)nn(C)c1C)CCO2
InChIInChI=1S/C19H26N4O3/c1-5-25-14-6-7-18-15(10-14)17(8-9-26-18)21-19(24)20-11-16-12(2)22-23(4)13(16)3/h6-7,10,17H,5,8-9,11H2,1-4H3,(H2,20,21,24)
InChIKeyIIRLZALYRXSSPT-UHFFFAOYSA-N
XLogP2.76
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
CID 138013365
6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138014959
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94156371
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138013320
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 94165404
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
3-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 146127534
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
2,3-dihydro-1,4-benzodioxin-6-yl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 78832286

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 126780314) is 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is CCOc1ccc2c(c1)C(NC(=O)NCc1c(C)nn(C)c1C)CCO2.
What is the InChIKey of 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is IIRLZALYRXSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-25-14-6-7-18-15(10-14)17(8-9-26-18)21-19(24)20-11-16-12(2)22-23(4)13(16)3/h6-7,10,17H,5,8-9,11H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 126780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).