(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone

C20H16N4O2 — CID 121238337

IUPAC(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-20(17-12-7-13-26-17)24-19(22-16-10-5-2-6-11-16)14-18(23-24)21-15-8-3-1-4-9-15/h1-14,22H,(H,21,23)
InChIKeyFZGGHWIFEHQRJN-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.65
Rot. Bonds5

About (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone

(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone (PubChem CID 121238337) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
PubChem CID121238337
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-20(17-12-7-13-26-17)24-19(22-16-10-5-2-6-11-16)14-18(23-24)21-15-8-3-1-4-9-15/h1-14,22H,(H,21,23)
InChIKeyFZGGHWIFEHQRJN-UHFFFAOYSA-N
XLogP4.65
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
CID 121238353
[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
CID 121238358
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
[3,5-bis(4-ethoxyanilino)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 121238439
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
5-(furan-2-yl)-N-phenyl-1,2-oxazol-3-amine
CID 71761719
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817

Frequently Asked Questions

What is the IUPAC name of (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone (CID 121238337) is (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone is O=C(c1ccco1)n1nc(Nc2ccccc2)cc1Nc1ccccc1.
What is the InChIKey of (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is FZGGHWIFEHQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(17-12-7-13-26-17)24-19(22-16-10-5-2-6-11-16)14-18(23-24)21-15-8-3-1-4-9-15/h1-14,22H,(H,21,23).
What are the key properties of (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone?
(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 121238337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).