1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea

C18H24N4O3 — CID 90622357

IUPAC1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H24N4O3/c1-2-25-17-6-4-3-5-16(17)21-18(23)20-15-11-19-22(13-15)12-14-7-9-24-10-8-14/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,20,21,23)
InChIKeyREPLXHILAYLDGX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.35
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea

1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea (PubChem CID 90622357) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
PubChem CID90622357
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H24N4O3/c1-2-25-17-6-4-3-5-16(17)21-18(23)20-15-11-19-22(13-15)12-14-7-9-24-10-8-14/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,20,21,23)
InChIKeyREPLXHILAYLDGX-UHFFFAOYSA-N
XLogP3.35
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 90622320
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-ethoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622466
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea (CID 90622357) is 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea is CCOc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is REPLXHILAYLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-25-17-6-4-3-5-16(17)21-18(23)20-15-11-19-22(13-15)12-14-7-9-24-10-8-14/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 90622357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).