1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea

C13H22N4O2 — CID 47079357

IUPAC1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)n(CCO)n1
InChIInChI=1S/C13H22N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3,(H2,14,15,19)
InChIKeyMIPHKSGJAMIDMF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea

1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea (PubChem CID 47079357) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
PubChem CID47079357
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)n(CCO)n1
InChIInChI=1S/C13H22N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3,(H2,14,15,19)
InChIKeyMIPHKSGJAMIDMF-UHFFFAOYSA-N
XLogP1.64
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
CID 115653189
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925017
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea (CID 47079357) is 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea is Cc1cc(NC(=O)NC2CCCCC2)n(CCO)n1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea?
The InChIKey is MIPHKSGJAMIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-9-12(17(16-10)7-8-18)15-13(19)14-11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3,(H2,14,15,19).
What are the key properties of 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea?
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea is sourced from PubChem (CID 47079357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).