N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide

C20H19F3N4O4 — CID 19398092

IUPACN-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H19F3N4O4/c1-27-17(19(29)24-9-15-6-3-7-31-15)16(10-25-27)26-18(28)14-5-2-4-13(8-14)11-30-12-20(21,22)23/h2-8,10H,9,11-12H2,1H3,(H,24,29)(H,26,28)
InChIKeyHQNSSASJEWRNME-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.27
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide (PubChem CID 19398092) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
PubChem CID19398092
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)NCc1ccco1
InChIInChI=1S/C20H19F3N4O4/c1-27-17(19(29)24-9-15-6-3-7-31-15)16(10-25-27)26-18(28)14-5-2-4-13(8-14)11-30-12-20(21,22)23/h2-8,10H,9,11-12H2,1H3,(H,24,29)(H,26,28)
InChIKeyHQNSSASJEWRNME-UHFFFAOYSA-N
XLogP3.27
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398075
methyl 1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxylate
CID 19342119
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19584614
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398268

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide (CID 19398092) is N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide?
The InChIKey is HQNSSASJEWRNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-27-17(19(29)24-9-15-6-3-7-31-15)16(10-25-27)26-18(28)14-5-2-4-13(8-14)11-30-12-20(21,22)23/h2-8,10H,9,11-12H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19398092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).