1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea

C19H20N4O3 — CID 72922378

IUPAC1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea
SMILESO=C(NCCCn1nccc1C1CC1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C19H20N4O3/c24-17-7-11-26-18-5-4-14(12-15(17)18)22-19(25)20-8-1-10-23-16(6-9-21-23)13-2-3-13/h4-7,9,11-13H,1-3,8,10H2,(H2,20,22,25)
InChIKeyXWSWPGXWUOUSIN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds6

About 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea

1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea (PubChem CID 72922378) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea.

Molecular Properties

Compound Name1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea
PubChem CID72922378
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea
SMILESO=C(NCCCn1nccc1C1CC1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C19H20N4O3/c24-17-7-11-26-18-5-4-14(12-15(17)18)22-19(25)20-8-1-10-23-16(6-9-21-23)13-2-3-13/h4-7,9,11-13H,1-3,8,10H2,(H2,20,22,25)
InChIKeyXWSWPGXWUOUSIN-UHFFFAOYSA-N
XLogP3.08
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3-(4-oxochromen-6-yl)urea
CID 97454739
1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125157030
1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea
CID 23139454
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)urea
CID 17374525
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118782202
2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
CID 91830482
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea?
The IUPAC name of 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea (CID 72922378) is 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea.
What is the SMILES notation for 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea?
The canonical SMILES for 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea is O=C(NCCCn1nccc1C1CC1)Nc1ccc2occc(=O)c2c1.
What is the InChIKey of 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea?
The InChIKey is XWSWPGXWUOUSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-7-11-26-18-5-4-14(12-15(17)18)22-19(25)20-8-1-10-23-16(6-9-21-23)13-2-3-13/h4-7,9,11-13H,1-3,8,10H2,(H2,20,22,25).
What are the key properties of 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea?
1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea has a molecular weight of 352.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(4-oxochromen-6-yl)urea is sourced from PubChem (CID 72922378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).