3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

C18H26N4O2 — CID 111790628

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C18H26N4O2/c1-6-21(12-18(4,5)24)17(23)19-15-8-7-9-16(11-15)22-14(3)10-13(2)20-22/h7-11,24H,6,12H2,1-5H3,(H,19,23)
InChIKeyXLIQPTGSCDGAGO-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.11
Rot. Bonds5

About 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 111790628) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID111790628
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C18H26N4O2/c1-6-21(12-18(4,5)24)17(23)19-15-8-7-9-16(11-15)22-14(3)10-13(2)20-22/h7-11,24H,6,12H2,1-5H3,(H,19,23)
InChIKeyXLIQPTGSCDGAGO-UHFFFAOYSA-N
XLogP3.11
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 87039966
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (CID 111790628) is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is CCN(CC(C)(C)O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is XLIQPTGSCDGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-21(12-18(4,5)24)17(23)19-15-8-7-9-16(11-15)22-14(3)10-13(2)20-22/h7-11,24H,6,12H2,1-5H3,(H,19,23).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 111790628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).