1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea

C18H26N4O2 — CID 111458969

IUPAC1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)14-21(10-7-11-23)17(24)20-15-12-19-22(13-15)16-8-5-4-6-9-16/h4-6,8-9,12-13,23H,7,10-11,14H2,1-3H3,(H,20,24)
InChIKeyUAUIXZKJFZPFQY-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.13
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea

1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 111458969) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
PubChem CID111458969
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)14-21(10-7-11-23)17(24)20-15-12-19-22(13-15)16-8-5-4-6-9-16/h4-6,8-9,12-13,23H,7,10-11,14H2,1-3H3,(H,20,24)
InChIKeyUAUIXZKJFZPFQY-UHFFFAOYSA-N
XLogP3.13
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 111107474
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111578737
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 111106445
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-[3-(methoxymethyl)phenyl]urea
CID 111107478
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
2-(1,5-dimethylpyrazol-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 146125663

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea (CID 111458969) is 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea is CC(C)(C)CN(CCCO)C(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is UAUIXZKJFZPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)14-21(10-7-11-23)17(24)20-15-12-19-22(13-15)16-8-5-4-6-9-16/h4-6,8-9,12-13,23H,7,10-11,14H2,1-3H3,(H,20,24).
What are the key properties of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea?
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 111458969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).