3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide

C9H9F6N3O — CID 103310272

IUPAC3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-4-5(3-17-18-4)2-16-7(19)6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H,16,19)(H,17,18)
InChIKeyLFRDFSRYPQSFIB-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.08
Rot. Bonds3

About 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310272) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
PubChem CID103310272
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-4-5(3-17-18-4)2-16-7(19)6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H,16,19)(H,17,18)
InChIKeyLFRDFSRYPQSFIB-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 106112236
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
2-methyl-2-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 62846720
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
CID 99809710
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide (CID 103310272) is 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide is Cc1[nH]ncc1CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is LFRDFSRYPQSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-4-5(3-17-18-4)2-16-7(19)6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).