N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine

C18H22F3N3 — CID 71884389

IUPACN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine
SMILESCc1cc(C)n(-c2ccc(CNC3CCCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C18H22F3N3/c1-12-9-13(2)24(23-12)16-8-7-14(17(10-16)18(19,20)21)11-22-15-5-3-4-6-15/h7-10,15,22H,3-6,11H2,1-2H3
InChIKeyBOTIWGBGAIHQGJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.54
Rot. Bonds4

About N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine

N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine (PubChem CID 71884389) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine
PubChem CID71884389
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine
SMILESCc1cc(C)n(-c2ccc(CNC3CCCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C18H22F3N3/c1-12-9-13(2)24(23-12)16-8-7-14(17(10-16)18(19,20)21)11-22-15-5-3-4-6-15/h7-10,15,22H,3-6,11H2,1-2H3
InChIKeyBOTIWGBGAIHQGJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine (CID 71884389) is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine is Cc1cc(C)n(-c2ccc(CNC3CCCC3)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine?
The InChIKey is BOTIWGBGAIHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-12-9-13(2)24(23-12)16-8-7-14(17(10-16)18(19,20)21)11-22-15-5-3-4-6-15/h7-10,15,22H,3-6,11H2,1-2H3.
What are the key properties of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine?
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine has a molecular weight of 337.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 71884389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).