N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C26H23ClF3N3O3 — CID 19324002

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C26H23ClF3N3O3/c27-22-23(17-6-7-17)33(32-24(22)26(28,29)30)13-3-12-31-25(34)21-11-10-20(36-21)15-35-19-9-8-16-4-1-2-5-18(16)14-19/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15H2,(H,31,34)
InChIKeyFYGPMAFOGXEOOF-UHFFFAOYSA-N
MW517.94 g/mol
LogP6.58
Rot. Bonds9

About N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19324002) has the molecular formula C26H23ClF3N3O3 and a molecular weight of 517.94 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19324002
Molecular FormulaC26H23ClF3N3O3
Molecular Weight517.94 g/mol
Exact Mass517.14
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C26H23ClF3N3O3/c27-22-23(17-6-7-17)33(32-24(22)26(28,29)30)13-3-12-31-25(34)21-11-10-20(36-21)15-35-19-9-8-16-4-1-2-5-18(16)14-19/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15H2,(H,31,34)
InChIKeyFYGPMAFOGXEOOF-UHFFFAOYSA-N
XLogP6.58
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.94
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19324096
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19324005
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19325923
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19324103
methyl 4-[[5-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19326054
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19323983
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19323971
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768806
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-diethoxybenzamide
CID 19323952
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19326057
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 4772219
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19324002) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is FYGPMAFOGXEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N3O3/c27-22-23(17-6-7-17)33(32-24(22)26(28,29)30)13-3-12-31-25(34)21-11-10-20(36-21)15-35-19-9-8-16-4-1-2-5-18(16)14-19/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15H2,(H,31,34).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 517.94 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19324002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).