1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea

C20H24N4O4 — CID 55694215

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESCc1c(NC(=O)NCCCOCc2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H24N4O4/c1-15-18(19(25)24(23(15)2)16-8-4-3-5-9-16)22-20(26)21-11-7-12-27-14-17-10-6-13-28-17/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H2,21,22,26)
InChIKeyROSRDGVBZOTDJA-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.81
Rot. Bonds8

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea (PubChem CID 55694215) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea
PubChem CID55694215
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESCc1c(NC(=O)NCCCOCc2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H24N4O4/c1-15-18(19(25)24(23(15)2)16-8-4-3-5-9-16)22-20(26)21-11-7-12-27-14-17-10-6-13-28-17/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H2,21,22,26)
InChIKeyROSRDGVBZOTDJA-UHFFFAOYSA-N
XLogP2.81
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8654220
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea
CID 86986317
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
CID 71892790
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]butanoate
CID 9053017
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methoxyethylcarbamothioylamino)thiourea
CID 8654214
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 52590663

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea (CID 55694215) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea is Cc1c(NC(=O)NCCCOCc2ccco2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The InChIKey is ROSRDGVBZOTDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-15-18(19(25)24(23(15)2)16-8-4-3-5-9-16)22-20(26)21-11-7-12-27-14-17-10-6-13-28-17/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea has a molecular weight of 384.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea is sourced from PubChem (CID 55694215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).