N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C14H20F3N3O — CID 114610258

IUPACN-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1CC(F)(F)F)C1CCNC1
InChIInChI=1S/C14H20F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-8-19(12)10-14(15,16)17/h3-4,8,11,18H,2,5-7,9-10H2,1H3
InChIKeyIWGZAKWCPSRHGZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.26
Rot. Bonds5

About N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114610258) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114610258
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1CC(F)(F)F)C1CCNC1
InChIInChI=1S/C14H20F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-8-19(12)10-14(15,16)17/h3-4,8,11,18H,2,5-7,9-10H2,1H3
InChIKeyIWGZAKWCPSRHGZ-UHFFFAOYSA-N
XLogP2.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610281
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
N-(pyrrolidin-3-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610544
4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119532306
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
5-methyl-N-propyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119532120
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114610258) is N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCCN(C(=O)c1cccn1CC(F)(F)F)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is IWGZAKWCPSRHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-8-19(12)10-14(15,16)17/h3-4,8,11,18H,2,5-7,9-10H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).