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

C19H20N4O2 — CID 51102569

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H20N4O2/c24-14-17-7-2-1-6-16(17)12-20-19(25)22-18-8-3-5-15(11-18)13-23-10-4-9-21-23/h1-11,24H,12-14H2,(H2,20,22,25)
InChIKeyYFILZSSNDLIXGJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.75
Rot. Bonds6

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

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 51102569) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID51102569
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H20N4O2/c24-14-17-7-2-1-6-16(17)12-20-19(25)22-18-8-3-5-15(11-18)13-23-10-4-9-21-23/h1-11,24H,12-14H2,(H2,20,22,25)
InChIKeyYFILZSSNDLIXGJ-UHFFFAOYSA-N
XLogP2.75
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290797
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
1-[(2,4-dichlorophenyl)methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 52711976
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 51102569) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is O=C(NCc1ccccc1CO)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is YFILZSSNDLIXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-14-17-7-2-1-6-16(17)12-20-19(25)22-18-8-3-5-15(11-18)13-23-10-4-9-21-23/h1-11,24H,12-14H2,(H2,20,22,25).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 51102569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).