5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide

C25H18N4O3 — CID 1284327

IUPAC5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C25H18N4O3/c30-24(27-21-13-6-9-17-8-4-5-12-19(17)21)20-16-26-29(18-10-2-1-3-11-18)23(20)28-25(31)22-14-7-15-32-22/h1-16H,(H,27,30)(H,28,31)
InChIKeyZLIIPZSTNJYQNS-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.12
Rot. Bonds5

About 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide

5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 1284327) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide
PubChem CID1284327
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C25H18N4O3/c30-24(27-21-13-6-9-17-8-4-5-12-19(17)21)20-16-26-29(18-10-2-1-3-11-18)23(20)28-25(31)22-14-7-15-32-22/h1-16H,(H,27,30)(H,28,31)
InChIKeyZLIIPZSTNJYQNS-UHFFFAOYSA-N
XLogP5.12
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
6-(2-furyl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990607
6-(2-furyl)-5-(3-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990894
N-(3-methyl-1-(4-oxo-1-(m-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 135880900
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-2-furamide
CID 2213981
N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-(2-furoylamino)-1H-pyrazole-4-carboxamide
CID 2214115
2-(1-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310133

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide (CID 1284327) is 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1)c1ccco1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZLIIPZSTNJYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-24(27-21-13-6-9-17-8-4-5-12-19(17)21)20-16-26-29(18-10-2-1-3-11-18)23(20)28-25(31)22-14-7-15-32-22/h1-16H,(H,27,30)(H,28,31).
What are the key properties of 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide?
5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-N-naphthalen-1-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1284327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).