bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole

C23H34N8O4 — CID 174705344

IUPACbis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole
SMILESCCN(N)C(=O)Nc1ccc(OC)cc1.CCN(N)C(=O)Nc1ccc(OC)cc1.c1cn[nH]c1
InChIInChI=1S/2C10H15N3O2.C3H4N2/c2*1-3-13(11)10(14)12-8-4-6-9(15-2)7-5-8;1-2-4-5-3-1/h2*4-7H,3,11H2,1-2H3,(H,12,14);1-3H,(H,4,5)
InChIKeyDMKGULGUCUXRTD-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.26
Rot. Bonds6

About bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole

bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole (PubChem CID 174705344) has the molecular formula C23H34N8O4 and a molecular weight of 486.58 g/mol. Its IUPAC name is bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole.

Molecular Properties

Compound Namebis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole
PubChem CID174705344
Molecular FormulaC23H34N8O4
Molecular Weight486.58 g/mol
Exact Mass486.27
IUPAC Namebis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole
SMILESCCN(N)C(=O)Nc1ccc(OC)cc1.CCN(N)C(=O)Nc1ccc(OC)cc1.c1cn[nH]c1
InChIInChI=1S/2C10H15N3O2.C3H4N2/c2*1-3-13(11)10(14)12-8-4-6-9(15-2)7-5-8;1-2-4-5-3-1/h2*4-7H,3,11H2,1-2H3,(H,12,14);1-3H,(H,4,5)
InChIKeyDMKGULGUCUXRTD-UHFFFAOYSA-N
XLogP3.26
TPSA163.86 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
CID 3763474
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
1-[(Z)-4-aminobut-2-enyl]-3-(4-methoxyphenyl)-1-methylurea
CID 142437144
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea
CID 88948710
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-ethyl-3-(4-methoxyphenyl)-1-[(2-nitrophenyl)methyl]urea
CID 47028230
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
CID 10545597
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088

Frequently Asked Questions

What is the IUPAC name of bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole?
The IUPAC name of bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole (CID 174705344) is bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole.
What is the SMILES notation for bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole?
The canonical SMILES for bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole is CCN(N)C(=O)Nc1ccc(OC)cc1.CCN(N)C(=O)Nc1ccc(OC)cc1.c1cn[nH]c1.
What is the InChIKey of bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole?
The InChIKey is DMKGULGUCUXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N3O2.C3H4N2/c2*1-3-13(11)10(14)12-8-4-6-9(15-2)7-5-8;1-2-4-5-3-1/h2*4-7H,3,11H2,1-2H3,(H,12,14);1-3H,(H,4,5).
What are the key properties of bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole?
bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole has a molecular weight of 486.58 g/mol, XLogP of 3.26, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-amino-1-ethyl-3-(4-methoxyphenyl)urea);1H-pyrazole is sourced from PubChem (CID 174705344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).