1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H19F3N4O2 — CID 19477537

IUPAC1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H19F3N4O2/c1-23-14(10-15(22-23)17(18,19)20)16(25)21-13-4-2-3-12(9-13)11-24-5-7-26-8-6-24/h2-4,9-10H,5-8,11H2,1H3,(H,21,25)
InChIKeyFUFORVYTVPDJCQ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19477537) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19477537
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H19F3N4O2/c1-23-14(10-15(22-23)17(18,19)20)16(25)21-13-4-2-3-12(9-13)11-24-5-7-26-8-6-24/h2-4,9-10H,5-8,11H2,1H3,(H,21,25)
InChIKeyFUFORVYTVPDJCQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19478987
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512734
N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461431
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19477537) is 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FUFORVYTVPDJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-23-14(10-15(22-23)17(18,19)20)16(25)21-13-4-2-3-12(9-13)11-24-5-7-26-8-6-24/h2-4,9-10H,5-8,11H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).