N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C25H21N3O2 — CID 23595994

IUPACN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2cc(-c3ccco3)[nH]n2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H21N3O2/c1-25(24(29)26-22-13-20(27-28-22)21-11-6-12-30-21)14-19-15-7-2-4-9-17(15)23(25)18-10-5-3-8-16(18)19/h2-13,19,23H,14H2,1H3,(H2,26,27,28,29)
InChIKeyLFHXBKKFTIHURX-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.30
Rot. Bonds3

About N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23595994) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23595994
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2cc(-c3ccco3)[nH]n2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H21N3O2/c1-25(24(29)26-22-13-20(27-28-22)21-11-6-12-30-21)14-19-15-7-2-4-9-17(15)23(25)18-10-5-3-8-16(18)19/h2-13,19,23H,14H2,1H3,(H2,26,27,28,29)
InChIKeyLFHXBKKFTIHURX-UHFFFAOYSA-N
XLogP5.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23595994) is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1(C(=O)Nc2cc(-c3ccco3)[nH]n2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is LFHXBKKFTIHURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-25(24(29)26-22-13-20(27-28-22)21-11-6-12-30-21)14-19-15-7-2-4-9-17(15)23(25)18-10-5-3-8-16(18)19/h2-13,19,23H,14H2,1H3,(H2,26,27,28,29).
What are the key properties of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23595994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).