1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H14F3N3O — CID 177051225

IUPAC1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC=C(C)C(=C)CNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H14F3N3O/c1-7(2)8(3)6-16-11(19)9-5-10(12(13,14)15)17-18(9)4/h5H,1,3,6H2,2,4H3,(H,16,19)
InChIKeyBNFBBIDSKPVBOC-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.30
Rot. Bonds4

About 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051225) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051225
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC=C(C)C(=C)CNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H14F3N3O/c1-7(2)8(3)6-16-11(19)9-5-10(12(13,14)15)17-18(9)4/h5H,1,3,6H2,2,4H3,(H,16,19)
InChIKeyBNFBBIDSKPVBOC-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74236464
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558
ethane;methyl N-[(5E,6Z)-5-[(Z)-1-fluorobut-1-enyl]imino-3-methylocta-3,6-dien-4-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethanimidate
CID 155718555
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051225) is 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is C=C(C)C(=C)CNC(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BNFBBIDSKPVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7(2)8(3)6-16-11(19)9-5-10(12(13,14)15)17-18(9)4/h5H,1,3,6H2,2,4H3,(H,16,19).
What are the key properties of 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).