N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H21F3N6O3 — CID 19519310

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C(=O)N1CCOCC1
InChIInChI=1S/C17H21F3N6O3/c1-3-25-15(16(28)24-4-6-29-7-5-24)12(9-21-25)22-14(27)10-26-11(2)8-13(23-26)17(18,19)20/h8-9H,3-7,10H2,1-2H3,(H,22,27)
InChIKeyNEVAZHWDMZKRCF-UHFFFAOYSA-N
MW414.39 g/mol
LogP1.54
Rot. Bonds5

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19519310) has the molecular formula C17H21F3N6O3 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19519310
Molecular FormulaC17H21F3N6O3
Molecular Weight414.39 g/mol
Exact Mass414.16
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C(=O)N1CCOCC1
InChIInChI=1S/C17H21F3N6O3/c1-3-25-15(16(28)24-4-6-29-7-5-24)12(9-21-25)22-14(27)10-26-11(2)8-13(23-26)17(18,19)20/h8-9H,3-7,10H2,1-2H3,(H,22,27)
InChIKeyNEVAZHWDMZKRCF-UHFFFAOYSA-N
XLogP1.54
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
CID 19521175
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
CID 19529797
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
CID 17022862
N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003734
5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19338930
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19584614
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42285700
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
1-(3-chloro-4-fluorophenyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiourea
CID 19445753
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19519310) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NEVAZHWDMZKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O3/c1-3-25-15(16(28)24-4-6-29-7-5-24)12(9-21-25)22-14(27)10-26-11(2)8-13(23-26)17(18,19)20/h8-9H,3-7,10H2,1-2H3,(H,22,27).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19519310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).