3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea

C18H25ClN4O2 — CID 72857964

IUPAC3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea
SMILESCCC(C)n1nccc1NC(=O)N(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN4O2/c1-3-14(2)23-17(9-10-20-23)21-18(25)22(11-4-12-24)13-15-5-7-16(19)8-6-15/h5-10,14,24H,3-4,11-13H2,1-2H3,(H,21,25)
InChIKeyUIWDSOFDPGKOQW-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.92
Rot. Bonds8

About 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea

3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea (PubChem CID 72857964) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea
PubChem CID72857964
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea
SMILESCCC(C)n1nccc1NC(=O)N(CCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN4O2/c1-3-14(2)23-17(9-10-20-23)21-18(25)22(11-4-12-24)13-15-5-7-16(19)8-6-15/h5-10,14,24H,3-4,11-13H2,1-2H3,(H,21,25)
InChIKeyUIWDSOFDPGKOQW-UHFFFAOYSA-N
XLogP3.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 126448790
1-[(4-chlorophenyl)methyl]-3-[(1S)-1-(4-ethylphenyl)ethyl]-1-(3-hydroxypropyl)urea
CID 126435536
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 111106445
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
1-[(4-chlorophenyl)methyl]-3-(1,3-dihydro-2-benzofuran-5-yl)-1-(3-hydroxypropyl)urea
CID 72924189
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 78778333
1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea
CID 15137699
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111115015
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea (CID 72857964) is 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea is CCC(C)n1nccc1NC(=O)N(CCCO)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
The InChIKey is UIWDSOFDPGKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-3-14(2)23-17(9-10-20-23)21-18(25)22(11-4-12-24)13-15-5-7-16(19)8-6-15/h5-10,14,24H,3-4,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea?
3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea has a molecular weight of 364.88 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-ylpyrazol-3-yl)-1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 72857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).