N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C19H21F3N4O3 — CID 78850481

IUPACN,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3/c1-13-16(18(28)24(2)12-17(27)25-6-8-29-9-7-25)11-23-26(13)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyNETKJSXZSVOPGH-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.13
Rot. Bonds4

About N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 78850481) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID78850481
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O3/c1-13-16(18(28)24(2)12-17(27)25-6-8-29-9-7-25)11-23-26(13)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyNETKJSXZSVOPGH-UHFFFAOYSA-N
XLogP2.13
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55610218
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 71908614

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 78850481) is N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC(=O)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NETKJSXZSVOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-13-16(18(28)24(2)12-17(27)25-6-8-29-9-7-25)11-23-26(13)15-5-3-4-14(10-15)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78850481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).