5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide

C20H18Cl4N4O2 — CID 127052921

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl
InChIInChI=1S/C20H18Cl4N4O2/c1-28-17(15(23)10-26-28)12-9-16(30-18(12)24)19(29)27-20(4-6-25-7-5-20)11-2-3-13(21)14(22)8-11/h2-3,8-10,25H,4-7H2,1H3,(H,27,29)
InChIKeyRCHUICFLEWDCEV-UHFFFAOYSA-N
MW488.20 g/mol
LogP5.30
Rot. Bonds4

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 127052921) has the molecular formula C20H18Cl4N4O2 and a molecular weight of 488.20 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID127052921
Molecular FormulaC20H18Cl4N4O2
Molecular Weight488.20 g/mol
Exact Mass486.02
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl
InChIInChI=1S/C20H18Cl4N4O2/c1-28-17(15(23)10-26-28)12-9-16(30-18(12)24)19(29)27-20(4-6-25-7-5-20)11-2-3-13(21)14(22)8-11/h2-3,8-10,25H,4-7H2,1H3,(H,27,29)
InChIKeyRCHUICFLEWDCEV-UHFFFAOYSA-N
XLogP5.30
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.20
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide (CID 127052921) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is RCHUICFLEWDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl4N4O2/c1-28-17(15(23)10-26-28)12-9-16(30-18(12)24)19(29)27-20(4-6-25-7-5-20)11-2-3-13(21)14(22)8-11/h2-3,8-10,25H,4-7H2,1H3,(H,27,29).
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 488.20 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 127052921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).