1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C19H26N4O2 — CID 96569194

IUPAC1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C19H26N4O2/c24-14-16-4-1-2-5-18(16)22-19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,1-2,4-5,10,12,14H2,(H2,20,22,25)/t16-,18-/m0/s1
InChIKeyHLFLFIDUOQEYGF-WMZOPIPTSA-N
MW342.44 g/mol
LogP2.27
Rot. Bonds6

About 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 96569194) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID96569194
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C19H26N4O2/c24-14-16-4-1-2-5-18(16)22-19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,1-2,4-5,10,12,14H2,(H2,20,22,25)/t16-,18-/m0/s1
InChIKeyHLFLFIDUOQEYGF-WMZOPIPTSA-N
XLogP2.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-nitrophenyl)ethyl]urea
CID 75424039
1-[(1S,3R)-3-(dimethylamino)cyclopentyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 97159323
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
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-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111504349

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 96569194) is 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is O=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCCC[C@H]1CO.
What is the InChIKey of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is HLFLFIDUOQEYGF-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-14-16-4-1-2-5-18(16)22-19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,1-2,4-5,10,12,14H2,(H2,20,22,25)/t16-,18-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 96569194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).