N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide

C19H26F3N5O2 — CID 131982691

IUPACN-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N5O2/c1-23-4-6-27(2)12-15-11-25-26-17(15)13-8-14(18(28)24-5-7-29-3)10-16(9-13)19(20,21)22/h8-11,23H,4-7,12H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyUDKRVAIKIVBPOH-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.12
Rot. Bonds10

About N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide (PubChem CID 131982691) has the molecular formula C19H26F3N5O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide
PubChem CID131982691
Molecular FormulaC19H26F3N5O2
Molecular Weight413.44 g/mol
Exact Mass413.20
IUPAC NameN-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N5O2/c1-23-4-6-27(2)12-15-11-25-26-17(15)13-8-14(18(28)24-5-7-29-3)10-16(9-13)19(20,21)22/h8-11,23H,4-7,12H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyUDKRVAIKIVBPOH-UHFFFAOYSA-N
XLogP2.12
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[[5-[3-(4-methylpentoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 131982555
N,N'-dimethyl-N'-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 85473275
N'-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472895
5-[3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)phenoxy]pentan-2-one
CID 158216691
N'-[[5-(3-aminophenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86304952
N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
N'-[[5-[2-chloro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472893
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
CID 162276236
N-methyl-N-[[5-[4-[2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158645742
(1S)-N-(2-methoxyethyl)-2,2-dimethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide
CID 152875041
N'-[[5-[4-(cyclopropylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342363

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide (CID 131982691) is N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide is CNCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is UDKRVAIKIVBPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O2/c1-23-4-6-27(2)12-15-11-25-26-17(15)13-8-14(18(28)24-5-7-29-3)10-16(9-13)19(20,21)22/h8-11,23H,4-7,12H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 413.44 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 131982691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).