1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C19H22N4O3 — CID 122266305

IUPAC1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(c2ccco2)n2cccn2)cc1
InChIInChI=1S/C19H22N4O3/c1-25-16-7-5-15(6-8-16)9-11-20-19(24)21-14-17(18-4-2-13-26-18)23-12-3-10-22-23/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,20,21,24)
InChIKeyDEWWYWOEPLNNHS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.62
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 122266305) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID122266305
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(c2ccco2)n2cccn2)cc1
InChIInChI=1S/C19H22N4O3/c1-25-16-7-5-15(6-8-16)9-11-20-19(24)21-14-17(18-4-2-13-26-18)23-12-3-10-22-23/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,20,21,24)
InChIKeyDEWWYWOEPLNNHS-UHFFFAOYSA-N
XLogP2.62
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 122266298
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 122266074
2-(4-ethoxyphenoxy)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122266032
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41180935
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234384
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 122266305) is 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCC(c2ccco2)n2cccn2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is DEWWYWOEPLNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-16-7-5-15(6-8-16)9-11-20-19(24)21-14-17(18-4-2-13-26-18)23-12-3-10-22-23/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 354.41 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 122266305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).