N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide

C13H17F3N2O2 — CID 164629912

IUPACN-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESCOC1([C@H](C)NC(=O)c2c[nH]c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H17F3N2O2/c1-8(12(20-2)4-3-5-12)18-11(19)9-6-10(17-7-9)13(14,15)16/h6-8,17H,3-5H2,1-2H3,(H,18,19)/t8-/m0/s1
InChIKeyFYSBYTLHYHJROA-QMMMGPOBSA-N
MW290.28 g/mol
LogP2.72
Rot. Bonds4

About N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide

N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide (PubChem CID 164629912) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
PubChem CID164629912
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESCOC1([C@H](C)NC(=O)c2c[nH]c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H17F3N2O2/c1-8(12(20-2)4-3-5-12)18-11(19)9-6-10(17-7-9)13(14,15)16/h6-8,17H,3-5H2,1-2H3,(H,18,19)/t8-/m0/s1
InChIKeyFYSBYTLHYHJROA-QMMMGPOBSA-N
XLogP2.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(1-methoxycyclobutyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 136547662
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 126766047
N-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
CID 166845261
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 175847313
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896
4-methyl-2-(trifluoromethyl)-1H-pyrrole
CID 55297444

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide (CID 164629912) is N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide is COC1([C@H](C)NC(=O)c2c[nH]c(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is FYSBYTLHYHJROA-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-8(12(20-2)4-3-5-12)18-11(19)9-6-10(17-7-9)13(14,15)16/h6-8,17H,3-5H2,1-2H3,(H,18,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methoxycyclobutyl)ethyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 164629912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).