1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea

C16H20N4O2 — CID 111521199

IUPAC1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4O2/c21-15(17-12-16(22)7-4-8-16)19-14-9-18-20(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,22H,4,7-8,10,12H2,(H2,17,19,21)
InChIKeyZEYKCKUZXDGEDR-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.97
Rot. Bonds5

About 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111521199) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111521199
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4O2/c21-15(17-12-16(22)7-4-8-16)19-14-9-18-20(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,22H,4,7-8,10,12H2,(H2,17,19,21)
InChIKeyZEYKCKUZXDGEDR-UHFFFAOYSA-N
XLogP1.97
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
1-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-3-[(1-pyridin-4-ylcyclobutyl)methyl]urea
CID 167975521
1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 127768446
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 99702276
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111521199) is 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is ZEYKCKUZXDGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(17-12-16(22)7-4-8-16)19-14-9-18-20(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,22H,4,7-8,10,12H2,(H2,17,19,21).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).