2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C8H11F3N4O — CID 79811010

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-4-3-5(15-14-4)13-6(16)7(2,12)8(9,10)11/h3H,12H2,1-2H3,(H2,13,14,15,16)
InChIKeySMHXLNSVXNXTJI-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 79811010) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID79811010
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-4-3-5(15-14-4)13-6(16)7(2,12)8(9,10)11/h3H,12H2,1-2H3,(H2,13,14,15,16)
InChIKeySMHXLNSVXNXTJI-UHFFFAOYSA-N
XLogP0.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
2-amino-N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propanamide
CID 75449519
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide
CID 97341571
N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 5246311
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
3-Methacroylamino-5-methylpyrazole
CID 15312519
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 56789935
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71847753
(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 136580665
[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 68818176
N-[N'-tert-butyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3-methylbutanamide
CID 72694899

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 79811010) is 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is SMHXLNSVXNXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-3-5(15-14-4)13-6(16)7(2,12)8(9,10)11/h3H,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 236.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 79811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).