N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide

C15H23N3O3 — CID 91780833

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
SMILESCn1cc(C(NC(=O)C2CCOCC2)C2CC(O)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-18-9-12(8-16-18)14(11-6-13(19)7-11)17-15(20)10-2-4-21-5-3-10/h8-11,13-14,19H,2-7H2,1H3,(H,17,20)
InChIKeyCEGMWEVSLDGJQY-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.77
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 91780833) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID91780833
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
SMILESCn1cc(C(NC(=O)C2CCOCC2)C2CC(O)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-18-9-12(8-16-18)14(11-6-13(19)7-11)17-15(20)10-2-4-21-5-3-10/h8-11,13-14,19H,2-7H2,1H3,(H,17,20)
InChIKeyCEGMWEVSLDGJQY-UHFFFAOYSA-N
XLogP0.77
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 91771585
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]pyrazine-2-carboxamide
CID 91776644
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]oxane-4-carboxamide
CID 91784935
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91779886
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
CID 91773609
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide (CID 91780833) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide is Cn1cc(C(NC(=O)C2CCOCC2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is CEGMWEVSLDGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18-9-12(8-16-18)14(11-6-13(19)7-11)17-15(20)10-2-4-21-5-3-10/h8-11,13-14,19H,2-7H2,1H3,(H,17,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 91780833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).