5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide

C12H13F3N4 — CID 154021871

IUPAC5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
SMILESCC1=NN(/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H13F3N4/c1-8-6-7-19(18-8)11(16)17-10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17)
InChIKeyUZCPESBUOZOXMB-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.73
Rot. Bonds1

About 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide

5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 154021871) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
PubChem CID154021871
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
SMILESCC1=NN(/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H13F3N4/c1-8-6-7-19(18-8)11(16)17-10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17)
InChIKeyUZCPESBUOZOXMB-UHFFFAOYSA-N
XLogP2.73
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine
CID 174359936
4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 158782554
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-2,5-dihydropyrrole-1-carboximidamide
CID 142722371
N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 89000095
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142722481
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 3311
5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 142916061
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide (CID 154021871) is 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide is CC1=NN(/C(N)=N/c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is UZCPESBUOZOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-8-6-7-19(18-8)11(16)17-10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17).
What are the key properties of 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide?
5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 270.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 154021871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).