1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea

C19H26N4O3 — CID 47090473

IUPAC1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccccc1-c1cc(NC(=O)NC2CCC(O)CC2)n(CCO)n1
InChIInChI=1S/C19H26N4O3/c1-13-4-2-3-5-16(13)17-12-18(23(22-17)10-11-24)21-19(26)20-14-6-8-15(25)9-7-14/h2-5,12,14-15,24-25H,6-11H2,1H3,(H2,20,21,26)
InChIKeyUJJUBBXKZMDWJL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.28
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea

1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea (PubChem CID 47090473) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
PubChem CID47090473
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccccc1-c1cc(NC(=O)NC2CCC(O)CC2)n(CCO)n1
InChIInChI=1S/C19H26N4O3/c1-13-4-2-3-5-16(13)17-12-18(23(22-17)10-11-24)21-19(26)20-14-6-8-15(25)9-7-14/h2-5,12,14-15,24-25H,6-11H2,1H3,(H2,20,21,26)
InChIKeyUJJUBBXKZMDWJL-UHFFFAOYSA-N
XLogP2.28
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
CID 110004021
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95282305
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110027521
2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110929217
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]oxolane-2-carboxamide
CID 71933978
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea (CID 47090473) is 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea is Cc1ccccc1-c1cc(NC(=O)NC2CCC(O)CC2)n(CCO)n1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The InChIKey is UJJUBBXKZMDWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-4-2-3-5-16(13)17-12-18(23(22-17)10-11-24)21-19(26)20-14-6-8-15(25)9-7-14/h2-5,12,14-15,24-25H,6-11H2,1H3,(H2,20,21,26).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 47090473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).