1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea

C17H26N6O2 — CID 154781676

IUPAC1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1cn(C2CCCCC2)nc1NC(=O)NCC(O)c1ccnn1C
InChIInChI=1S/C17H26N6O2/c1-12-11-23(13-6-4-3-5-7-13)21-16(12)20-17(25)18-10-15(24)14-8-9-19-22(14)2/h8-9,11,13,15,24H,3-7,10H2,1-2H3,(H2,18,20,21,25)
InChIKeyWBMFYIKYWFDGNJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.29
Rot. Bonds5

About 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea

1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 154781676) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID154781676
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1cn(C2CCCCC2)nc1NC(=O)NCC(O)c1ccnn1C
InChIInChI=1S/C17H26N6O2/c1-12-11-23(13-6-4-3-5-7-13)21-16(12)20-17(25)18-10-15(24)14-8-9-19-22(14)2/h8-9,11,13,15,24H,3-7,10H2,1-2H3,(H2,18,20,21,25)
InChIKeyWBMFYIKYWFDGNJ-UHFFFAOYSA-N
XLogP2.29
TPSA97.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea with MolForge

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Related Compounds

N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
CID 167951521
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CID 136566340
1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 138028291
1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]urea
CID 136555016
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 138025719
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237
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CID 136566330
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
CID 164642958
2-[(1-cyclohexylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801326
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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea (CID 154781676) is 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea is Cc1cn(C2CCCCC2)nc1NC(=O)NCC(O)c1ccnn1C.
What is the InChIKey of 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is WBMFYIKYWFDGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-11-23(13-6-4-3-5-7-13)21-16(12)20-17(25)18-10-15(24)14-8-9-19-22(14)2/h8-9,11,13,15,24H,3-7,10H2,1-2H3,(H2,18,20,21,25).
What are the key properties of 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 346.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 154781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).