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

C16H20N4O2 — CID 52875986

IUPAC1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccccc1-c1cc(NC(=O)NC2CC2)n(CCO)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-2-3-5-13(11)14-10-15(20(19-14)8-9-21)18-16(22)17-12-6-7-12/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,22)
InChIKeyXOPFXXUSCQTWNA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.13
Rot. Bonds5

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

1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea (PubChem CID 52875986) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
PubChem CID52875986
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccccc1-c1cc(NC(=O)NC2CC2)n(CCO)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-2-3-5-13(11)14-10-15(20(19-14)8-9-21)18-16(22)17-12-6-7-12/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,22)
InChIKeyXOPFXXUSCQTWNA-UHFFFAOYSA-N
XLogP2.13
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
(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
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]oxolane-2-carboxamide
CID 71933978
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea (CID 52875986) is 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea is Cc1ccccc1-c1cc(NC(=O)NC2CC2)n(CCO)n1.
What is the InChIKey of 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
The InChIKey is XOPFXXUSCQTWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-2-3-5-13(11)14-10-15(20(19-14)8-9-21)18-16(22)17-12-6-7-12/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,22).
What are the key properties of 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea?
1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 52875986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).