1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea

C18H18N4O2 — CID 111112930

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O2/c23-12-15-4-2-1-3-14(15)11-19-18(24)21-16-7-5-13(6-8-16)17-9-10-20-22-17/h1-10,23H,11-12H2,(H,20,22)(H2,19,21,24)
InChIKeyHTYXAVHBZDVDDR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.89
Rot. Bonds5

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 111112930) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID111112930
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O2/c23-12-15-4-2-1-3-14(15)11-19-18(24)21-16-7-5-13(6-8-16)17-9-10-20-22-17/h1-10,23H,11-12H2,(H,20,22)(H2,19,21,24)
InChIKeyHTYXAVHBZDVDDR-UHFFFAOYSA-N
XLogP2.89
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111573254
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111412039
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111474787
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 97007742
1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911313
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 115645017
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 55809331

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (CID 111112930) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is O=C(NCc1ccccc1CO)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is HTYXAVHBZDVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-12-15-4-2-1-3-14(15)11-19-18(24)21-16-7-5-13(6-8-16)17-9-10-20-22-17/h1-10,23H,11-12H2,(H,20,22)(H2,19,21,24).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 111112930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).