1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C15H11F6N5 — CID 171789512

IUPAC1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)c2N)n1
InChIInChI=1S/C15H11F6N5/c1-25-6-5-10(23-25)26-13(22)11(12(24-26)15(19,20)21)8-3-2-4-9(7-8)14(16,17)18/h2-7H,22H2,1H3
InChIKeyHXMMPKLPQKEBHC-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.89
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 171789512) has the molecular formula C15H11F6N5 and a molecular weight of 375.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID171789512
Molecular FormulaC15H11F6N5
Molecular Weight375.28 g/mol
Exact Mass375.09
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)c2N)n1
InChIInChI=1S/C15H11F6N5/c1-25-6-5-10(23-25)26-13(22)11(12(24-26)15(19,20)21)8-3-2-4-9(7-8)14(16,17)18/h2-7H,22H2,1H3
InChIKeyHXMMPKLPQKEBHC-UHFFFAOYSA-N
XLogP3.89
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine 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

1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 171789540
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
CID 171789533
4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789491
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789547
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide
CID 175934897
methyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 171789481
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141385503
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 171789512) is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Cn1ccc(-n2nc(C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)c2N)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is HXMMPKLPQKEBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5/c1-25-6-5-10(23-25)26-13(22)11(12(24-26)15(19,20)21)8-3-2-4-9(7-8)14(16,17)18/h2-7H,22H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 375.28 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 171789512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).