1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

C19H26N4O2 — CID 127768446

IUPAC1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnn(Cc3ccccc3)c2)C(C)(C)O1
InChIInChI=1S/C19H26N4O2/c1-18(2)10-16(19(3,4)25-18)22-17(24)21-15-11-20-23(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16H,10,12H2,1-4H3,(H2,21,22,24)
InChIKeyVPGUSVCFDHPCDH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.40
Rot. Bonds4

About 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 127768446) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID127768446
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnn(Cc3ccccc3)c2)C(C)(C)O1
InChIInChI=1S/C19H26N4O2/c1-18(2)10-16(19(3,4)25-18)22-17(24)21-15-11-20-23(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16H,10,12H2,1-4H3,(H2,21,22,24)
InChIKeyVPGUSVCFDHPCDH-UHFFFAOYSA-N
XLogP3.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 136521264
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166358020
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
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-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 127768446) is 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is CC1(C)CC(NC(=O)Nc2cnn(Cc3ccccc3)c2)C(C)(C)O1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is VPGUSVCFDHPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-18(2)10-16(19(3,4)25-18)22-17(24)21-15-11-20-23(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16H,10,12H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 127768446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).