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

C20H14Cl2N4O2 — CID 121238358

IUPAC[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl
InChIInChI=1S/C20H14Cl2N4O2/c21-13-6-1-3-8-15(13)23-18-12-19(24-16-9-4-2-7-14(16)22)26(25-18)20(27)17-10-5-11-28-17/h1-12,24H,(H,23,25)
InChIKeyIQLDYRJHIJBKOL-UHFFFAOYSA-N
MW413.26 g/mol
LogP5.96
Rot. Bonds5

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

[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 121238358) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
PubChem CID121238358
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name[3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl
InChIInChI=1S/C20H14Cl2N4O2/c21-13-6-1-3-8-15(13)23-18-12-19(24-16-9-4-2-7-14(16)22)26(25-18)20(27)17-10-5-11-28-17/h1-12,24H,(H,23,25)
InChIKeyIQLDYRJHIJBKOL-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(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
CID 121238353
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
N-(2-chlorophenyl)-2-[4-(furan-2-carbonyl)-1-methylpiperazin-1-ium-1-yl]acetamide
CID 2321315
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
N'-[6-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23484051
N-[4-[(2-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57081310
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone (CID 121238358) is [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl.
What is the InChIKey of [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is IQLDYRJHIJBKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c21-13-6-1-3-8-15(13)23-18-12-19(24-16-9-4-2-7-14(16)22)26(25-18)20(27)17-10-5-11-28-17/h1-12,24H,(H,23,25).
What are the key properties of [3,5-bis(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone?
[3,5-bis(2-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(2-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 121238358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).