1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea

C17H28N4O3 — CID 156607637

IUPAC1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
SMILESCCOC1COCC1NC(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C17H28N4O3/c1-3-24-15-11-23-10-14(15)18-17(22)19-16-9-12(2)20-21(16)13-7-5-4-6-8-13/h9,13-15H,3-8,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyMZDNUWUJITWEFA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds5

About 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea

1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea (PubChem CID 156607637) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
PubChem CID156607637
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
SMILESCCOC1COCC1NC(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C17H28N4O3/c1-3-24-15-11-23-10-14(15)18-17(22)19-16-9-12(2)20-21(16)13-7-5-4-6-8-13/h9,13-15H,3-8,10-11H2,1-2H3,(H2,18,19,22)
InChIKeyMZDNUWUJITWEFA-UHFFFAOYSA-N
XLogP2.62
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide
CID 118767991
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
CID 118778137
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133110450
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 118784809
ethyl N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]carbamate
CID 99976088
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 122561387
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118771882
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea?
The IUPAC name of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea (CID 156607637) is 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea?
The canonical SMILES for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea is CCOC1COCC1NC(=O)Nc1cc(C)nn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea?
The InChIKey is MZDNUWUJITWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-24-15-11-23-10-14(15)18-17(22)19-16-9-12(2)20-21(16)13-7-5-4-6-8-13/h9,13-15H,3-8,10-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea?
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea has a molecular weight of 336.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea is sourced from PubChem (CID 156607637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).