3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C14H20F3N5O — CID 136516743

IUPAC3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)10-22-8-4-12(19-22)18-13(23)21-7-3-11(9-21)20-5-1-2-6-20/h4,8,11H,1-3,5-7,9-10H2,(H,18,19,23)
InChIKeyKLOZOWKWVRQMJM-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.15
Rot. Bonds3

About 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 136516743) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID136516743
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)10-22-8-4-12(19-22)18-13(23)21-7-3-11(9-21)20-5-1-2-6-20/h4,8,11H,1-3,5-7,9-10H2,(H,18,19,23)
InChIKeyKLOZOWKWVRQMJM-UHFFFAOYSA-N
XLogP2.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136585572
3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 139013293
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
CID 136562643
(9aS)-N-(5-bromo-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97352884
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 75382230
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044985

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 136516743) is 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is KLOZOWKWVRQMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c15-14(16,17)10-22-8-4-12(19-22)18-13(23)21-7-3-11(9-21)20-5-1-2-6-20/h4,8,11H,1-3,5-7,9-10H2,(H,18,19,23).
What are the key properties of 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136516743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).