1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C24H22N4O2 — CID 55695482

IUPAC1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-24(25-17-19-11-13-20(14-12-19)18-28-16-6-15-26-28)27-22-9-4-5-10-23(22)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H2,25,27,29)
InChIKeyNIWWHUXSTRNFSW-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.05
Rot. Bonds7

About 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55695482) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55695482
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-24(25-17-19-11-13-20(14-12-19)18-28-16-6-15-26-28)27-22-9-4-5-10-23(22)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H2,25,27,29)
InChIKeyNIWWHUXSTRNFSW-UHFFFAOYSA-N
XLogP5.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55932406
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
2-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108998186
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55743504
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 55695482) is 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is NIWWHUXSTRNFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(25-17-19-11-13-20(14-12-19)18-28-16-6-15-26-28)27-22-9-4-5-10-23(22)30-21-7-2-1-3-8-21/h1-16H,17-18H2,(H2,25,27,29).
What are the key properties of 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 398.47 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).