N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine

C12H11ClF3N3 — CID 165343641

IUPACN-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11ClF3N3/c1-19-3-2-11(18-19)17-7-8-4-9(12(14,15)16)6-10(13)5-8/h2-6H,7H2,1H3,(H,17,18)
InChIKeyFQFGLDUMGRHZSN-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.70
Rot. Bonds3

About N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine

N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine (PubChem CID 165343641) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
PubChem CID165343641
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11ClF3N3/c1-19-3-2-11(18-19)17-7-8-4-9(12(14,15)16)6-10(13)5-8/h2-6H,7H2,1H3,(H,17,18)
InChIKeyFQFGLDUMGRHZSN-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbenzyl)-1H-pyrazol-3-amine
CID 1511721
1-[(3-Chlorophenyl)methyl]-1H-pyrazol-3-amine
CID 16195077
1-((2-chlorophenyl)methyl)-1H-pyrazol-5-amine
CID 2560633
1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
CID 588819
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1247534
1-(2-Chlorobenzyl)-1H-pyrazol-3-amine
CID 599015
1-(4-Chlorobenzyl)-1H-pyrazol-3-amine
CID 673690
1-((2,4-Dichlorophenyl)methyl)-1H-pyrazol-3-amine
CID 5302743
1-[1-(2,5-Dichlorophenyl)ethyl]-1H-pyrazol-5-amine
CID 16786152
1-[(3-chlorophenyl)methyl]-1H-pyrazol-5-amine
CID 7130777
1-((2,6-dichlorophenyl)methyl)-1H-pyrazol-5-amine
CID 7131921
1-((4-(trifluoromethyl)phenyl)methyl)-1H-pyrazol-5-amine hydrochloride
CID 16266957

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine (CID 165343641) is N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine?
The InChIKey is FQFGLDUMGRHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-19-3-2-11(18-19)17-7-8-4-9(12(14,15)16)6-10(13)5-8/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine?
N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine has a molecular weight of 289.69 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 165343641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).