1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C15H20N4O4 — CID 87038599

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H20N4O4/c20-13(14-4-2-6-23-14)8-16-15(21)18-11-7-17-19(9-11)10-12-3-1-5-22-12/h2,4,6-7,9,12-13,20H,1,3,5,8,10H2,(H2,16,18,21)
InChIKeyDMVLAWWURWUVTE-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 87038599) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID87038599
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H20N4O4/c20-13(14-4-2-6-23-14)8-16-15(21)18-11-7-17-19(9-11)10-12-3-1-5-22-12/h2,4,6-7,9,12-13,20H,1,3,5,8,10H2,(H2,16,18,21)
InChIKeyDMVLAWWURWUVTE-UHFFFAOYSA-N
XLogP1.51
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea with MolForge

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Related Compounds

1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038939
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 87038599) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is O=C(NCC(O)c1ccco1)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is DMVLAWWURWUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-13(14-4-2-6-23-14)8-16-15(21)18-11-7-17-19(9-11)10-12-3-1-5-22-12/h2,4,6-7,9,12-13,20H,1,3,5,8,10H2,(H2,16,18,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 320.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 87038599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).