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

C16H11ClF3N3O2 — CID 55476048

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)13-3-2-6-25-13)23(22-9)12-8-10(16(18,19)20)4-5-11(12)17/h2-8H,1H3,(H,21,24)
InChIKeyPPOLNDLNPIDYGX-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.70
Rot. Bonds3

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

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 55476048) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID55476048
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)13-3-2-6-25-13)23(22-9)12-8-10(16(18,19)20)4-5-11(12)17/h2-8H,1H3,(H,21,24)
InChIKeyPPOLNDLNPIDYGX-UHFFFAOYSA-N
XLogP4.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2812003
CID 2812003
CID 2809606
CID 2809606
CID 2473696
CID 2473696
CID 49862398
CID 49862398
CID 2809607
CID 2809607
CID 135968229
CID 135968229
CID 4459760
CID 4459760
CID 5013253
CID 5013253
CID 2160448
CID 2160448
CID 2373973
CID 2373973
CID 52555202
CID 52555202
CID 132465026
CID 132465026

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 55476048) is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is PPOLNDLNPIDYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)13-3-2-6-25-13)23(22-9)12-8-10(16(18,19)20)4-5-11(12)17/h2-8H,1H3,(H,21,24).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 369.73 g/mol, XLogP of 4.70, 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]furan-2-carboxamide is sourced from PubChem (CID 55476048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).