1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea

C22H26N4O2 — CID 86826170

IUPAC1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
SMILESCC(CNC(=O)NCc1cccc(COc2ccccc2)c1)Cn1cccn1
InChIInChI=1S/C22H26N4O2/c1-18(16-26-12-6-11-25-26)14-23-22(27)24-15-19-7-5-8-20(13-19)17-28-21-9-3-2-4-10-21/h2-13,18H,14-17H2,1H3,(H2,23,24,27)
InChIKeyUYCBDKRYPQMEPF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.60
Rot. Bonds9

About 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea

1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea (PubChem CID 86826170) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
PubChem CID86826170
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
SMILESCC(CNC(=O)NCc1cccc(COc2ccccc2)c1)Cn1cccn1
InChIInChI=1S/C22H26N4O2/c1-18(16-26-12-6-11-25-26)14-23-22(27)24-15-19-7-5-8-20(13-19)17-28-21-9-3-2-4-10-21/h2-13,18H,14-17H2,1H3,(H2,23,24,27)
InChIKeyUYCBDKRYPQMEPF-UHFFFAOYSA-N
XLogP3.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 51124441
1-benzyl-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110954641
N-(2-methyl-3-pyrazol-1-ylpropyl)-6-phenoxypyridine-3-carboxamide
CID 87018896
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 60515248
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 60562797
2-methyl-1-[[3-(phenoxymethyl)phenyl]methyl]-3-propan-2-ylguanidine
CID 111125270
4-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-oxobutanamide
CID 51951673
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111182229
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 51961680

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea (CID 86826170) is 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea is CC(CNC(=O)NCc1cccc(COc2ccccc2)c1)Cn1cccn1.
What is the InChIKey of 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea?
The InChIKey is UYCBDKRYPQMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18(16-26-12-6-11-25-26)14-23-22(27)24-15-19-7-5-8-20(13-19)17-28-21-9-3-2-4-10-21/h2-13,18H,14-17H2,1H3,(H2,23,24,27).
What are the key properties of 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea?
1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea has a molecular weight of 378.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 86826170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).