1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea

C15H18N4O2 — CID 97428194

IUPAC1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H18N4O2/c20-15(16-8-12-4-2-1-3-5-12)18-13-9-17-19(10-13)14-6-7-21-11-14/h1-5,9-10,14H,6-8,11H2,(H2,16,18,20)/t14-/m0/s1
InChIKeySHXQGJCQUBZYAC-AWEZNQCLSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds4

About 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea

1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea (PubChem CID 97428194) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
PubChem CID97428194
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H18N4O2/c20-15(16-8-12-4-2-1-3-5-12)18-13-9-17-19(10-13)14-6-7-21-11-14/h1-5,9-10,14H,6-8,11H2,(H2,16,18,20)/t14-/m0/s1
InChIKeySHXQGJCQUBZYAC-AWEZNQCLSA-N
XLogP2.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 45831991
1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
1-(4-Methylphenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027607
3-[Benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
CID 47048247
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 51080280
1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51107493
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 53498533
1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-4-yl)urea
CID 53503074
2-[4-[1-(2-Methylphenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503553
2-[4-[1-(2,6-Difluorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503557

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea (CID 97428194) is 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea is O=C(NCc1ccccc1)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The InChIKey is SHXQGJCQUBZYAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(16-8-12-4-2-1-3-5-12)18-13-9-17-19(10-13)14-6-7-21-11-14/h1-5,9-10,14H,6-8,11H2,(H2,16,18,20)/t14-/m0/s1.
What are the key properties of 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea has a molecular weight of 286.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea is sourced from PubChem (CID 97428194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).