N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H19F3N4O — CID 119604762

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)15-7-8-24(23-15)13-5-1-3-11(9-13)16(25)22-14-6-2-4-12(14)10-21/h1,3,5,7-9,12,14H,2,4,6,10,21H2,(H,22,25)
InChIKeyLYMIOXIECIOTLG-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119604762) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119604762
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)15-7-8-24(23-15)13-5-1-3-11(9-13)16(25)22-14-6-2-4-12(14)10-21/h1,3,5,7-9,12,14H,2,4,6,10,21H2,(H,22,25)
InChIKeyLYMIOXIECIOTLG-UHFFFAOYSA-N
XLogP2.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120557791
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119604762) is N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is NCC1CCCC1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is LYMIOXIECIOTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)15-7-8-24(23-15)13-5-1-3-11(9-13)16(25)22-14-6-2-4-12(14)10-21/h1,3,5,7-9,12,14H,2,4,6,10,21H2,(H,22,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 352.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119604762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).