1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C20H22N4O2 — CID 86989246

IUPAC1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCOCc1ccccc1NC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-15-17-5-2-3-6-19(17)23-20(25)21-13-11-16-7-9-18(10-8-16)24-14-4-12-22-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,23,25)
InChIKeyYYBUCRKSVWBTMV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 86989246) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID86989246
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCOCc1ccccc1NC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-15-17-5-2-3-6-19(17)23-20(25)21-13-11-16-7-9-18(10-8-16)24-14-4-12-22-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,23,25)
InChIKeyYYBUCRKSVWBTMV-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

4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
CID 86989236
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 86989246) is 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is COCc1ccccc1NC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is YYBUCRKSVWBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-15-17-5-2-3-6-19(17)23-20(25)21-13-11-16-7-9-18(10-8-16)24-14-4-12-22-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,23,25).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)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-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 86989246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).