5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide

C20H17Cl2F3N4O2 — CID 155528489

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2CNCC2c2ccc(C(F)(F)F)cc2)oc1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-29-17(14(21)8-27-29)12-6-16(31-18(12)22)19(30)28-15-9-26-7-13(15)10-2-4-11(5-3-10)20(23,24)25/h2-6,8,13,15,26H,7,9H2,1H3,(H,28,30)
InChIKeyIGTFCBRFEJKRCK-UHFFFAOYSA-N
MW473.28 g/mol
LogP4.49
Rot. Bonds4

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 155528489) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID155528489
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2CNCC2c2ccc(C(F)(F)F)cc2)oc1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-29-17(14(21)8-27-29)12-6-16(31-18(12)22)19(30)28-15-9-26-7-13(15)10-2-4-11(5-3-10)20(23,24)25/h2-6,8,13,15,26H,7,9H2,1H3,(H,28,30)
InChIKeyIGTFCBRFEJKRCK-UHFFFAOYSA-N
XLogP4.49
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide (CID 155528489) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCC2c2ccc(C(F)(F)F)cc2)oc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is IGTFCBRFEJKRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c1-29-17(14(21)8-27-29)12-6-16(31-18(12)22)19(30)28-15-9-26-7-13(15)10-2-4-11(5-3-10)20(23,24)25/h2-6,8,13,15,26H,7,9H2,1H3,(H,28,30).
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 473.28 g/mol, XLogP of 4.49, 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-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 155528489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).