1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea

C20H28N4O2 — CID 97259764

IUPAC1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea
SMILESCC(C)C[C@H]1C[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1
InChIInChI=1S/C20H28N4O2/c1-15(2)12-18-13-17(9-11-26-18)21-20(25)22-19-8-10-24(23-19)14-16-6-4-3-5-7-16/h3-8,10,15,17-18H,9,11-14H2,1-2H3,(H2,21,22,23,25)/t17-,18+/m1/s1
InChIKeyAUQOXHHUHTXKLZ-MSOLQXFVSA-N
MW356.47 g/mol
LogP3.65
Rot. Bonds6

About 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea

1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea (PubChem CID 97259764) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea
PubChem CID97259764
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea
SMILESCC(C)C[C@H]1C[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1
InChIInChI=1S/C20H28N4O2/c1-15(2)12-18-13-17(9-11-26-18)21-20(25)22-19-8-10-24(23-19)14-16-6-4-3-5-7-16/h3-8,10,15,17-18H,9,11-14H2,1-2H3,(H2,21,22,23,25)/t17-,18+/m1/s1
InChIKeyAUQOXHHUHTXKLZ-MSOLQXFVSA-N
XLogP3.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-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

1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
CID 75493458
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1-benzylpyrazol-3-yl)urea
CID 100836677
1-(6-methoxy-2-methyl-3-pyridinyl)-3-[(2S,4S)-2-(2-methylpropyl)oxan-4-yl]urea
CID 97259794
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(3,4-dihydro-2H-chromen-3-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 126794302
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
2-[2-[[2-(2-methylpropyl)oxan-4-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551251
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111453132

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea (CID 97259764) is 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea is CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea?
The InChIKey is AUQOXHHUHTXKLZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)12-18-13-17(9-11-26-18)21-20(25)22-19-8-10-24(23-19)14-16-6-4-3-5-7-16/h3-8,10,15,17-18H,9,11-14H2,1-2H3,(H2,21,22,23,25)/t17-,18+/m1/s1.
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea?
1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea is sourced from PubChem (CID 97259764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).