N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H18F3N5O3 — CID 55698756

IUPACN-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)18-11-16(29-21(32)20-7-4-10-34-20)8-9-19(18)30-22(33)27-12-15-13-28-31(14-15)17-5-2-1-3-6-17/h1-11,13-14H,12H2,(H,29,32)(H2,27,30,33)
InChIKeyPHMWQASMFMBABN-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.06
Rot. Bonds6

About N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55698756) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55698756
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC NameN-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)18-11-16(29-21(32)20-7-4-10-34-20)8-9-19(18)30-22(33)27-12-15-13-28-31(14-15)17-5-2-1-3-6-17/h1-11,13-14H,12H2,(H,29,32)(H2,27,30,33)
InChIKeyPHMWQASMFMBABN-UHFFFAOYSA-N
XLogP5.06
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 55701855
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501351
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038197
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871867
1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78894433
N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55687145
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55698756) is N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is PHMWQASMFMBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c24-23(25,26)18-11-16(29-21(32)20-7-4-10-34-20)8-9-19(18)30-22(33)27-12-15-13-28-31(14-15)17-5-2-1-3-6-17/h1-11,13-14H,12H2,(H,29,32)(H2,27,30,33).
What are the key properties of N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55698756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).