6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine

C17H19F3N4 — CID 133471203

IUPAC6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine
SMILESCc1cncc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H19F3N4/c1-12-8-21-9-16(22-12)23-15-6-7-24(11-15)10-13-2-4-14(5-3-13)17(18,19)20/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyKKNBXCZBXDZWCE-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.49
Rot. Bonds4

About 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine

6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 133471203) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID133471203
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine
SMILESCc1cncc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H19F3N4/c1-12-8-21-9-16(22-12)23-15-6-7-24(11-15)10-13-2-4-14(5-3-13)17(18,19)20/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyKKNBXCZBXDZWCE-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
CID 167878081
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171996026
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923118
1,2-diethyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922891
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 124742218
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]isoquinolin-6-amine;hydrochloride
CID 24967850
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923006
2-methyl-1-(2-methylpropyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923170
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine (CID 133471203) is 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine is Cc1cncc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is KKNBXCZBXDZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-12-8-21-9-16(22-12)23-15-6-7-24(11-15)10-13-2-4-14(5-3-13)17(18,19)20/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine?
6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 133471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).