1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea

C15H18N4O3 — CID 118769316

IUPAC1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H18N4O3/c1-18(13-9-22-10-14(13)20)15(21)17-11-5-2-3-6-12(11)19-8-4-7-16-19/h2-8,13-14,20H,9-10H2,1H3,(H,17,21)/t13-,14-/m0/s1
InChIKeyCHAACTXYCVJVDK-KBPBESRZSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds3

About 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea

1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 118769316) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID118769316
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H18N4O3/c1-18(13-9-22-10-14(13)20)15(21)17-11-5-2-3-6-12(11)19-8-4-7-16-19/h2-8,13-14,20H,9-10H2,1H3,(H,17,21)/t13-,14-/m0/s1
InChIKeyCHAACTXYCVJVDK-KBPBESRZSA-N
XLogP1.10
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea (CID 118769316) is 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea is CN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1COC[C@@H]1O.
What is the InChIKey of 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is CHAACTXYCVJVDK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18(13-9-22-10-14(13)20)15(21)17-11-5-2-3-6-12(11)19-8-4-7-16-19/h2-8,13-14,20H,9-10H2,1H3,(H,17,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 302.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 118769316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).