[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

C19H27N3O4 — CID 91918280

IUPAC[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-12-15(2)22(20-14)13-17-4-5-18(26-17)19(23)21-8-6-16(7-9-21)25-11-10-24-3/h4-5,12,16H,6-11,13H2,1-3H3
InChIKeyISAXJBIRPNRLKV-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.41
Rot. Bonds7

About [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918280) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918280
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-12-15(2)22(20-14)13-17-4-5-18(26-17)19(23)21-8-6-16(7-9-21)25-11-10-24-3/h4-5,12,16H,6-11,13H2,1-3H3
InChIKeyISAXJBIRPNRLKV-UHFFFAOYSA-N
XLogP2.41
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 91918280) is [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)CC1.
What is the InChIKey of [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is ISAXJBIRPNRLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-12-15(2)22(20-14)13-17-4-5-18(26-17)19(23)21-8-6-16(7-9-21)25-11-10-24-3/h4-5,12,16H,6-11,13H2,1-3H3.
What are the key properties of [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).