N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide

C20H23F3N4O4 — CID 19584614

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H23F3N4O4/c1-2-27-17(19(29)26-6-8-30-9-7-26)16(11-24-27)25-18(28)15-5-3-4-14(10-15)12-31-13-20(21,22)23/h3-5,10-11H,2,6-9,12-13H2,1H3,(H,25,28)
InChIKeyYQKJCFCDXSWRSM-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.71
Rot. Bonds7

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 19584614) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID19584614
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H23F3N4O4/c1-2-27-17(19(29)26-6-8-30-9-7-26)16(11-24-27)25-18(28)15-5-3-4-14(10-15)12-31-13-20(21,22)23/h3-5,10-11H,2,6-9,12-13H2,1H3,(H,25,28)
InChIKeyYQKJCFCDXSWRSM-UHFFFAOYSA-N
XLogP2.71
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19338889
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
methyl 1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxylate
CID 19342119
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398092
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19340299
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519310

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 19584614) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide is CCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is YQKJCFCDXSWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-2-27-17(19(29)26-6-8-30-9-7-26)16(11-24-27)25-18(28)15-5-3-4-14(10-15)12-31-13-20(21,22)23/h3-5,10-11H,2,6-9,12-13H2,1H3,(H,25,28).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 440.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 19584614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).