1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea

C16H20N4O3 — CID 118760605

IUPAC1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-2-23-14-11-22-10-13(14)18-16(21)19-15-8-9-17-20(15)12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyCQEIDXPSMYBGPO-KBPBESRZSA-N
MW316.36 g/mol
LogP1.80
Rot. Bonds5

About 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea (PubChem CID 118760605) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea
PubChem CID118760605
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-2-23-14-11-22-10-13(14)18-16(21)19-15-8-9-17-20(15)12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyCQEIDXPSMYBGPO-KBPBESRZSA-N
XLogP1.80
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.80
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-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea (CID 118760605) is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea is CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea?
The InChIKey is CQEIDXPSMYBGPO-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-14-11-22-10-13(14)18-16(21)19-15-8-9-17-20(15)12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H2,18,19,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea?
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea has a molecular weight of 316.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 118760605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).