4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide

C9H12F3N3O — CID 166474069

IUPAC4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCc1cn(CCCC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12/h5H,2-4H2,1H3,(H2,13,16)
InChIKeyBKOTZBAPIMZXPG-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.48
Rot. Bonds4

About 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide

4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide (PubChem CID 166474069) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
PubChem CID166474069
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESCc1cn(CCCC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12/h5H,2-4H2,1H3,(H2,13,16)
InChIKeyBKOTZBAPIMZXPG-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 119053470
ethane;4-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 143746140
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 169217856
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
ethane;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
CID 143431716
3-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride
CID 90481362
1,1-dibenzyl-3-[3-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 17375426
3-(4-methyl-3-phenylpyrazol-1-yl)propanamide
CID 154215861
2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 119053475
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] carbamate
CID 68787226
[6-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-5-methylpyridazin-3-yl]methanamine
CID 145361024
6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol
CID 107703755

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The IUPAC name of 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide (CID 166474069) is 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide.
What is the SMILES notation for 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The canonical SMILES for 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide is Cc1cn(CCCC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The InChIKey is BKOTZBAPIMZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-5-15(4-2-3-7(13)16)14-8(6)9(10,11)12/h5H,2-4H2,1H3,(H2,13,16).
What are the key properties of 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide?
4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide has a molecular weight of 235.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide is sourced from PubChem (CID 166474069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).