N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C17H17F3N6O2 — CID 157184936

IUPACN-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H17F3N6O2/c1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20/h4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyMMYJFOBEYWMOOP-UHFFFAOYSA-N
MW394.36 g/mol
LogP3.76
Rot. Bonds6

About N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 157184936) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID157184936
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC NameN-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C17H17F3N6O2/c1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20/h4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyMMYJFOBEYWMOOP-UHFFFAOYSA-N
XLogP3.76
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 158925724
N-(2,2-dimethylbutyl)-5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 165004932
N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5,5-difluoropentanamide
CID 159200583
2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80768669
2-[(1R,2S)-2-fluorocyclopropyl]-N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 158214436
N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
CID 161191676
3-cyano-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
CID 157078567
1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 158444560
(3R)-3-[1-[5-(2-ethoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethenylamino]-1-methylpyrrolidin-2-one
CID 159632848
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678

Frequently Asked Questions

What is the IUPAC name of N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 157184936) is N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is MMYJFOBEYWMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c1-3-15(27)24-11-9-22-26-14(21-2)8-13(25-16(11)26)23-10-6-4-5-7-12(10)28-17(18,19)20/h4-9,21H,3H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 394.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 157184936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).