1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

C13H19F3N4O — CID 79573301

IUPAC1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-18-12(11(17)21)6-2-3-9(12)4-7-20-8-5-10(19-20)13(14,15)16/h5,8-9,18H,2-4,6-7H2,1H3,(H2,17,21)
InChIKeyPIEXJOOMZDOBPT-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.54
Rot. Bonds5

About 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 79573301) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID79573301
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-18-12(11(17)21)6-2-3-9(12)4-7-20-8-5-10(19-20)13(14,15)16/h5,8-9,18H,2-4,6-7H2,1H3,(H2,17,21)
InChIKeyPIEXJOOMZDOBPT-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
1-amino-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 132308714
3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 91437595
(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043347
(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043450
N-[2-(5-methylpyrazol-1-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 177969689
1-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]cyclopentane-1-carboxamide
CID 177969702
1-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 177969775
1-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentane-1-carboxamide
CID 177969783
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530812

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (CID 79573301) is 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is PIEXJOOMZDOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-18-12(11(17)21)6-2-3-9(12)4-7-20-8-5-10(19-20)13(14,15)16/h5,8-9,18H,2-4,6-7H2,1H3,(H2,17,21).
What are the key properties of 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79573301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).