1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea

C15H20N4O3 — CID 91773609

IUPAC1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(C(NC(=O)NCc2ccco2)C2CC(O)C2)cn1
InChIInChI=1S/C15H20N4O3/c1-19-9-11(7-17-19)14(10-5-12(20)6-10)18-15(21)16-8-13-3-2-4-22-13/h2-4,7,9-10,12,14,20H,5-6,8H2,1H3,(H2,16,18,21)
InChIKeyVCGNKJMWAVALQT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.32
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea

1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 91773609) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
PubChem CID91773609
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(C(NC(=O)NCc2ccco2)C2CC(O)C2)cn1
InChIInChI=1S/C15H20N4O3/c1-19-9-11(7-17-19)14(10-5-12(20)6-10)18-15(21)16-8-13-3-2-4-22-13/h2-4,7,9-10,12,14,20H,5-6,8H2,1H3,(H2,16,18,21)
InChIKeyVCGNKJMWAVALQT-UHFFFAOYSA-N
XLogP1.32
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91771631
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea (CID 91773609) is 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(C(NC(=O)NCc2ccco2)C2CC(O)C2)cn1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is VCGNKJMWAVALQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-19-9-11(7-17-19)14(10-5-12(20)6-10)18-15(21)16-8-13-3-2-4-22-13/h2-4,7,9-10,12,14,20H,5-6,8H2,1H3,(H2,16,18,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea?
1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 304.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 91773609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).