N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide

C16H23N3O4 — CID 136543616

IUPACN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)C1OCC2COCCC21
InChIInChI=1S/C16H23N3O4/c20-16(15-12-3-5-22-8-11(12)9-23-15)17-14-6-13(18-19-14)10-2-1-4-21-7-10/h6,10-12,15H,1-5,7-9H2,(H2,17,18,19,20)
InChIKeyMDHBBAFOZLCTIF-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.29
Rot. Bonds3

About N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide

N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide (PubChem CID 136543616) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide.

Molecular Properties

Compound NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
PubChem CID136543616
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)C1OCC2COCCC21
InChIInChI=1S/C16H23N3O4/c20-16(15-12-3-5-22-8-11(12)9-23-15)17-14-6-13(18-19-14)10-2-1-4-21-7-10/h6,10-12,15H,1-5,7-9H2,(H2,17,18,19,20)
InChIKeyMDHBBAFOZLCTIF-UHFFFAOYSA-N
XLogP1.29
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
CID 119794227
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 166220350
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
(2R,3S)-N-(5-cycloheptyl-1H-pyrazol-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120933939
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide (CID 136543616) is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide.
What is the SMILES notation for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The canonical SMILES for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide is O=C(Nc1cc(C2CCCOC2)[nH]n1)C1OCC2COCCC21.
What is the InChIKey of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The InChIKey is MDHBBAFOZLCTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-16(15-12-3-5-22-8-11(12)9-23-15)17-14-6-13(18-19-14)10-2-1-4-21-7-10/h6,10-12,15H,1-5,7-9H2,(H2,17,18,19,20).
What are the key properties of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide is sourced from PubChem (CID 136543616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).