1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea

C19H26N4O2 — CID 72923189

IUPAC1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(CO)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C19H26N4O2/c1-14-11-18(23(22-14)17-5-3-2-4-6-17)21-19(25)20-12-15-7-9-16(13-24)10-8-15/h7-11,17,24H,2-6,12-13H2,1H3,(H2,20,21,25)
InChIKeyFWCVWMOJGADUGU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.51
Rot. Bonds5

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

1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 72923189) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
PubChem CID72923189
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(CO)cc2)n(C2CCCCC2)n1
InChIInChI=1S/C19H26N4O2/c1-14-11-18(23(22-14)17-5-3-2-4-6-17)21-19(25)20-12-15-7-9-16(13-24)10-8-15/h7-11,17,24H,2-6,12-13H2,1H3,(H2,20,21,25)
InChIKeyFWCVWMOJGADUGU-UHFFFAOYSA-N
XLogP3.51
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (CID 72923189) is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is Cc1cc(NC(=O)NCc2ccc(CO)cc2)n(C2CCCCC2)n1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is FWCVWMOJGADUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-11-18(23(22-14)17-5-3-2-4-6-17)21-19(25)20-12-15-7-9-16(13-24)10-8-15/h7-11,17,24H,2-6,12-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 72923189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).