1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea

C17H24N4O2 — CID 111521189

IUPAC1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-16(22)10-18-17(23)20-15-9-19-21(12-15)11-14-6-4-3-5-7-14/h3-7,9,12-13,16,22H,8,10-11H2,1-2H3,(H2,18,20,23)
InChIKeyMXUVLRNIKNYWQA-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.46
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea

1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111521189) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111521189
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-16(22)10-18-17(23)20-15-9-19-21(12-15)11-14-6-4-3-5-7-14/h3-7,9,12-13,16,22H,8,10-11H2,1-2H3,(H2,18,20,23)
InChIKeyMXUVLRNIKNYWQA-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886425
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea (CID 111521189) is 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea is CC(C)CC(O)CNC(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is MXUVLRNIKNYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)8-16(22)10-18-17(23)20-15-9-19-21(12-15)11-14-6-4-3-5-7-14/h3-7,9,12-13,16,22H,8,10-11H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 316.40 g/mol, XLogP of 2.46, 7 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-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111521189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).