4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide

C8H10F3N3O — CID 155981643

IUPAC4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
SMILESCn1cc(NC(=O)CCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-14-5-6(4-12-14)13-7(15)2-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15)
InChIKeyREVLNLRHRGFFSI-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.70
Rot. Bonds3

About 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide

4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide (PubChem CID 155981643) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
PubChem CID155981643
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
SMILESCn1cc(NC(=O)CCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-14-5-6(4-12-14)13-7(15)2-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15)
InChIKeyREVLNLRHRGFFSI-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 79797778
2-(ethylamino)-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 62831574
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79286309
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide (CID 155981643) is 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide is Cn1cc(NC(=O)CCC(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide?
The InChIKey is REVLNLRHRGFFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14-5-6(4-12-14)13-7(15)2-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide?
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide has a molecular weight of 221.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide is sourced from PubChem (CID 155981643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).