1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea

C19H23N5O2 — CID 90620739

IUPAC1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
SMILESCCOc1ccccc1NC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C19H23N5O2/c1-3-26-17-9-5-4-8-16(17)22-19(25)20-10-6-7-15-12-21-18-11-14(2)23-24(18)13-15/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H2,20,22,25)
InChIKeyWKRRSIFTDWYFOJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.19
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea

1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea (PubChem CID 90620739) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
PubChem CID90620739
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
SMILESCCOc1ccccc1NC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C19H23N5O2/c1-3-26-17-9-5-4-8-16(17)22-19(25)20-10-6-7-15-12-21-18-11-14(2)23-24(18)13-15/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H2,20,22,25)
InChIKeyWKRRSIFTDWYFOJ-UHFFFAOYSA-N
XLogP3.19
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 90620616
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
CID 90620853
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea (CID 90620739) is 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea is CCOc1ccccc1NC(=O)NCCCc1cnc2cc(C)nn2c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea?
The InChIKey is WKRRSIFTDWYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-26-17-9-5-4-8-16(17)22-19(25)20-10-6-7-15-12-21-18-11-14(2)23-24(18)13-15/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea?
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea has a molecular weight of 353.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea is sourced from PubChem (CID 90620739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).