N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide

C16H18F3N5O2 — CID 166237463

IUPACN'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
SMILESCN(CCCN)C(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H18F3N5O2/c1-23(8-2-7-20)15(26)14(25)22-12-9-21-24(10-12)13-5-3-11(4-6-13)16(17,18)19/h3-6,9-10H,2,7-8,20H2,1H3,(H,22,25)
InChIKeyJJPRLQIWXQOBMZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.64
Rot. Bonds5

About N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide

N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide (PubChem CID 166237463) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
PubChem CID166237463
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC NameN'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
SMILESCN(CCCN)C(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H18F3N5O2/c1-23(8-2-7-20)15(26)14(25)22-12-9-21-24(10-12)13-5-3-11(4-6-13)16(17,18)19/h3-6,9-10H,2,7-8,20H2,1H3,(H,22,25)
InChIKeyJJPRLQIWXQOBMZ-UHFFFAOYSA-N
XLogP1.64
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hydroxybutyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
CID 166231711
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108528580
(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 120639665
1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
CID 117230412
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
1-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-3-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 126793253
4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 117074693
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751868
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide?
The IUPAC name of N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide (CID 166237463) is N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide?
The canonical SMILES for N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide is CN(CCCN)C(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide?
The InChIKey is JJPRLQIWXQOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-23(8-2-7-20)15(26)14(25)22-12-9-21-24(10-12)13-5-3-11(4-6-13)16(17,18)19/h3-6,9-10H,2,7-8,20H2,1H3,(H,22,25).
What are the key properties of N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide?
N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide has a molecular weight of 369.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide is sourced from PubChem (CID 166237463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).