N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C10H11ClF3N5 — CID 138018656

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(NCc2ncc(Cl)n2C)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-18-7(11)4-16-9(18)5-15-8-3-6(10(12,13)14)19(2)17-8/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyZXIGIASWASQGJB-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.44
Rot. Bonds3

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 138018656) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID138018656
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(NCc2ncc(Cl)n2C)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-18-7(11)4-16-9(18)5-15-8-3-6(10(12,13)14)19(2)17-8/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyZXIGIASWASQGJB-UHFFFAOYSA-N
XLogP2.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 132381942
5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71612465
7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
CID 86604557
1-ethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b]pyrazole
CID 121214989
1-[2-[2-(Difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine
CID 135374466
1-[2-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine
CID 135374810
N-[5-(difluoromethyl)-2-methylpyrazol-3-yl]imidazole-1-carbothioamide
CID 146278903
2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine
CID 164740919
5-Chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
CID 170633047
5-Chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633050
5-Chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633055

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 138018656) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is Cn1nc(NCc2ncc(Cl)n2C)cc1C(F)(F)F.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is ZXIGIASWASQGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5/c1-18-7(11)4-16-9(18)5-15-8-3-6(10(12,13)14)19(2)17-8/h3-4H,5H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 293.68 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 138018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).