1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C18H24N4O2 — CID 110933218

IUPAC1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)NC1CCCCC1O
InChIInChI=1S/C18H24N4O2/c23-17-5-2-1-4-16(17)21-18(24)19-12-10-14-6-8-15(9-7-14)22-13-3-11-20-22/h3,6-9,11,13,16-17,23H,1-2,4-5,10,12H2,(H2,19,21,24)
InChIKeyZMOVKJLPEWHYSW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds5

About 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 110933218) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID110933218
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)NC1CCCCC1O
InChIInChI=1S/C18H24N4O2/c23-17-5-2-1-4-16(17)21-18(24)19-12-10-14-6-8-15(9-7-14)22-13-3-11-20-22/h3,6-9,11,13,16-17,23H,1-2,4-5,10,12H2,(H2,19,21,24)
InChIKeyZMOVKJLPEWHYSW-UHFFFAOYSA-N
XLogP2.02
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 96569194
1-[(1S,3R)-3-(dimethylamino)cyclopentyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 97159323
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
(1S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 30101763
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 43045641
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 110933218) is 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is O=C(NCCc1ccc(-n2cccn2)cc1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is ZMOVKJLPEWHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-5-2-1-4-16(17)21-18(24)19-12-10-14-6-8-15(9-7-14)22-13-3-11-20-22/h3,6-9,11,13,16-17,23H,1-2,4-5,10,12H2,(H2,19,21,24).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 110933218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).