(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

C15H24F3N5O — CID 99784988

IUPAC(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C15H24F3N5O/c1-5-21(3)8-11-6-7-23(9-11)14(24)19-13-10(2)12(15(16,17)18)20-22(13)4/h11H,5-9H2,1-4H3,(H,19,24)/t11-/m0/s1
InChIKeyUSGAZIIJWSKYPQ-NSHDSACASA-N
MW347.39 g/mol
LogP2.55
Rot. Bonds4

About (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 99784988) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID99784988
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Name(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C15H24F3N5O/c1-5-21(3)8-11-6-7-23(9-11)14(24)19-13-10(2)12(15(16,17)18)20-22(13)4/h11H,5-9H2,1-4H3,(H,19,24)/t11-/m0/s1
InChIKeyUSGAZIIJWSKYPQ-NSHDSACASA-N
XLogP2.55
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (CID 99784988) is (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is CCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1.
What is the InChIKey of (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is USGAZIIJWSKYPQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-5-21(3)8-11-6-7-23(9-11)14(24)19-13-10(2)12(15(16,17)18)20-22(13)4/h11H,5-9H2,1-4H3,(H,19,24)/t11-/m0/s1.
What are the key properties of (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99784988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).