N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C26H19N5O3 — CID 42014114

IUPACN-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1)c1ccco1
InChIInChI=1S/C26H19N5O3/c32-25(28-19-10-12-20(13-11-19)29-26(33)23-9-5-15-34-23)22-17-31(21-7-2-1-3-8-21)30-24(22)18-6-4-14-27-16-18/h1-17H,(H,28,32)(H,29,33)
InChIKeyRUFDZVPVIRFKOM-UHFFFAOYSA-N
MW449.47 g/mol
LogP5.03
Rot. Bonds6

About N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 42014114) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID42014114
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC NameN-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1)c1ccco1
InChIInChI=1S/C26H19N5O3/c32-25(28-19-10-12-20(13-11-19)29-26(33)23-9-5-15-34-23)22-17-31(21-7-2-1-3-8-21)30-24(22)18-6-4-14-27-16-18/h1-17H,(H,28,32)(H,29,33)
InChIKeyRUFDZVPVIRFKOM-UHFFFAOYSA-N
XLogP5.03
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27167143
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 4963802
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 42014114) is N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1)c1ccco1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is RUFDZVPVIRFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c32-25(28-19-10-12-20(13-11-19)29-26(33)23-9-5-15-34-23)22-17-31(21-7-2-1-3-8-21)30-24(22)18-6-4-14-27-16-18/h1-17H,(H,28,32)(H,29,33).
What are the key properties of N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42014114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).