1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea

C18H26N4O2 — CID 111509387

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(21-17(24)19-13-18(2,3)9-12-23)15-5-7-16(8-6-15)22-11-4-10-20-22/h4-8,10-11,14,23H,9,12-13H2,1-3H3,(H2,19,21,24)
InChIKeyUQWSZDPOVDYUML-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.64
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 111509387) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID111509387
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(21-17(24)19-13-18(2,3)9-12-23)15-5-7-16(8-6-15)22-11-4-10-20-22/h4-8,10-11,14,23H,9,12-13H2,1-3H3,(H2,19,21,24)
InChIKeyUQWSZDPOVDYUML-UHFFFAOYSA-N
XLogP2.64
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 111503946
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
1-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96518673
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 111478749
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
1-[1-(2,3-dimethylphenyl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506389
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 111509387) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea is CC(NC(=O)NCC(C)(C)CCO)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is UQWSZDPOVDYUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(21-17(24)19-13-18(2,3)9-12-23)15-5-7-16(8-6-15)22-11-4-10-20-22/h4-8,10-11,14,23H,9,12-13H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 111509387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).