N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide

C17H13ClF3N3O2 — CID 52555205

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-9-7-15(22-16(25)12-5-6-26-10(12)2)24(23-9)14-8-11(17(19,20)21)3-4-13(14)18/h3-8H,1-2H3,(H,22,25)
InChIKeyHGFUYDYBWRHVIV-UHFFFAOYSA-N
MW383.76 g/mol
LogP5.01
Rot. Bonds3

About N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 52555205) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID52555205
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-9-7-15(22-16(25)12-5-6-26-10(12)2)24(23-9)14-8-11(17(19,20)21)3-4-13(14)18/h3-8H,1-2H3,(H,22,25)
InChIKeyHGFUYDYBWRHVIV-UHFFFAOYSA-N
XLogP5.01
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.76
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one
CID 135968229
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742775
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
CID 2742779
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335350
N-(5-ethyl-1-phenylpyrazol-3-yl)furan-3-carboxamide
CID 46106914
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl](2-methyl(3-furyl))carboxamide
CID 24208113
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(furan-2-yl)propanamide
CID 52555202
N-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(furan-2-yl)pyrazol-3-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742782
N-[N-(3-chloro-5-fluorophenyl)-N'-(5-methyl-1H-pyrazol-3-yl)carbamimidoyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 136274782
N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 137029639
5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
CID 2742768
N-[(Z)-[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359596

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide (CID 52555205) is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide is Cc1cc(NC(=O)c2ccoc2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is HGFUYDYBWRHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-9-7-15(22-16(25)12-5-6-26-10(12)2)24(23-9)14-8-11(17(19,20)21)3-4-13(14)18/h3-8H,1-2H3,(H,22,25).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 383.76 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 52555205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).