1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea

C19H28N4O2 — CID 110891166

IUPAC1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-5-15(13-24)20-18(25)21-17-11-16(19(2,3)4)22-23(17)12-14-9-7-6-8-10-14/h6-11,15,24H,5,12-13H2,1-4H3,(H2,20,21,25)
InChIKeyUHPXIINJFWQPEZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea

1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110891166) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID110891166
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-5-15(13-24)20-18(25)21-17-11-16(19(2,3)4)22-23(17)12-14-9-7-6-8-10-14/h6-11,15,24H,5,12-13H2,1-4H3,(H2,20,21,25)
InChIKeyUHPXIINJFWQPEZ-UHFFFAOYSA-N
XLogP3.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(3-hydroxypropyl)urea
CID 110891167
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
CID 55555171
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112813566
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
CID 119279361

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea (CID 110891166) is 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is UHPXIINJFWQPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-15(13-24)20-18(25)21-17-11-16(19(2,3)4)22-23(17)12-14-9-7-6-8-10-14/h6-11,15,24H,5,12-13H2,1-4H3,(H2,20,21,25).
What are the key properties of 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea?
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 344.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110891166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).