(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C17H21F3N4 — CID 124742218

IUPAC(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCn1ccc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H21F3N4/c1-23-8-6-15(22-23)10-21-16-7-9-24(12-16)11-13-2-4-14(5-3-13)17(18,19)20/h2-6,8,16,21H,7,9-12H2,1H3/t16-/m0/s1
InChIKeyXFPBVVPQXKOPMB-INIZCTEOSA-N
MW338.38 g/mol
LogP2.80
Rot. Bonds5

About (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 124742218) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID124742218
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCn1ccc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H21F3N4/c1-23-8-6-15(22-23)10-21-16-7-9-24(12-16)11-13-2-4-14(5-3-13)17(18,19)20/h2-6,8,16,21H,7,9-12H2,1H3/t16-/m0/s1
InChIKeyXFPBVVPQXKOPMB-INIZCTEOSA-N
XLogP2.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
6-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrazin-2-amine
CID 133471203
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
CID 167878081
2-methyl-1-(2-methylcyclopropyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922769
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923118
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1,2-diethyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine
CID 111922891
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
2-methyl-1-(2-methylpropyl)-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923170
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 114144133

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 124742218) is (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is Cn1ccc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XFPBVVPQXKOPMB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-23-8-6-15(22-23)10-21-16-7-9-24(12-16)11-13-2-4-14(5-3-13)17(18,19)20/h2-6,8,16,21H,7,9-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 338.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 124742218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).