(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H17F3N4O — CID 95329675

IUPAC(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnn(CCN[C@@H](C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N4O/c1-8-5-17-18(6-8)4-3-15-9(2)10(19)16-7-11(12,13)14/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeySODCQIMOAGVWHH-VIFPVBQESA-N
MW278.28 g/mol
LogP0.85
Rot. Bonds6

About (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95329675) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95329675
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnn(CCN[C@@H](C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N4O/c1-8-5-17-18(6-8)4-3-15-9(2)10(19)16-7-11(12,13)14/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeySODCQIMOAGVWHH-VIFPVBQESA-N
XLogP0.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 56780299
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 95329675) is (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1cnn(CCN[C@@H](C)C(=O)NCC(F)(F)F)c1.
What is the InChIKey of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SODCQIMOAGVWHH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8-5-17-18(6-8)4-3-15-9(2)10(19)16-7-11(12,13)14/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95329675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).