N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H14F3N5O — CID 155953451

IUPACN-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)N(C)c1cnn(C)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-8(20-5-4-10(17-20)12(13,14)15)11(21)19(3)9-6-16-18(2)7-9/h4-8H,1-3H3
InChIKeyMGDZHTRKLPJIRE-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155953451) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155953451
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)N(C)c1cnn(C)c1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-8(20-5-4-10(17-20)12(13,14)15)11(21)19(3)9-6-16-18(2)7-9/h4-8H,1-3H3
InChIKeyMGDZHTRKLPJIRE-UHFFFAOYSA-N
XLogP1.86
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-methyl-N-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 130617270
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
1-(7,7-dioxo-7λ6-thia-1-azaspiro[3.5]nonan-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 167834555
methyl 1,3-dimethyl-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
CID 110280782
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953494
1-[(3S)-3-ethoxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 155958844
methyl 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
CID 79084342
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155953451) is N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)N(C)c1cnn(C)c1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is MGDZHTRKLPJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-8(20-5-4-10(17-20)12(13,14)15)11(21)19(3)9-6-16-18(2)7-9/h4-8H,1-3H3.
What are the key properties of N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 301.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155953451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).