1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea

C20H22N4O2 — CID 86988677

IUPAC1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
SMILESCOCc1cccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H22N4O2/c1-26-15-16-6-5-7-18(12-16)23-20(25)21-11-10-17-13-22-24(14-17)19-8-3-2-4-9-19/h2-9,12-14H,10-11,15H2,1H3,(H2,21,23,25)
InChIKeySCKWPNTZLCYLEP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.38
Rot. Bonds7

About 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea

1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea (PubChem CID 86988677) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
PubChem CID86988677
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
SMILESCOCc1cccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H22N4O2/c1-26-15-16-6-5-7-18(12-16)23-20(25)21-11-10-17-13-22-24(14-17)19-8-3-2-4-9-19/h2-9,12-14H,10-11,15H2,1H3,(H2,21,23,25)
InChIKeySCKWPNTZLCYLEP-UHFFFAOYSA-N
XLogP3.38
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
CID 55504999
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea (CID 86988677) is 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea is COCc1cccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The InChIKey is SCKWPNTZLCYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-15-16-6-5-7-18(12-16)23-20(25)21-11-10-17-13-22-24(14-17)19-8-3-2-4-9-19/h2-9,12-14H,10-11,15H2,1H3,(H2,21,23,25).
What are the key properties of 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 86988677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).