[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone

C20H14Cl2N4O2 — CID 121238353

IUPAC[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N4O2/c21-13-3-7-15(8-4-13)23-18-12-19(24-16-9-5-14(22)6-10-16)26(25-18)20(27)17-2-1-11-28-17/h1-12,24H,(H,23,25)
InChIKeyOXIHWEWJKYNYCT-UHFFFAOYSA-N
MW413.26 g/mol
LogP5.96
Rot. Bonds5

About [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone

[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 121238353) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
PubChem CID121238353
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N4O2/c21-13-3-7-15(8-4-13)23-18-12-19(24-16-9-5-14(22)6-10-16)26(25-18)20(27)17-2-1-11-28-17/h1-12,24H,(H,23,25)
InChIKeyOXIHWEWJKYNYCT-UHFFFAOYSA-N
XLogP5.96
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
CID 121238337
[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
CID 121238358
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113050628
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone (CID 121238353) is [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1.
What is the InChIKey of [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is OXIHWEWJKYNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c21-13-3-7-15(8-4-13)23-18-12-19(24-16-9-5-14(22)6-10-16)26(25-18)20(27)17-2-1-11-28-17/h1-12,24H,(H,23,25).
What are the key properties of [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 413.26 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 121238353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).