3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C14H22F3N5O — CID 86799551

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCN(CC1CCN(C(=O)Nc2cnn(C)c2)C1)CC(F)(F)F
InChIInChI=1S/C14H22F3N5O/c1-3-21(10-14(15,16)17)7-11-4-5-22(8-11)13(23)19-12-6-18-20(2)9-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,19,23)
InChIKeyQDYQWCXDQLPVPF-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.16
Rot. Bonds5

About 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 86799551) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID86799551
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCN(CC1CCN(C(=O)Nc2cnn(C)c2)C1)CC(F)(F)F
InChIInChI=1S/C14H22F3N5O/c1-3-21(10-14(15,16)17)7-11-4-5-22(8-11)13(23)19-12-6-18-20(2)9-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,19,23)
InChIKeyQDYQWCXDQLPVPF-UHFFFAOYSA-N
XLogP2.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 86799551) is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is CCN(CC1CCN(C(=O)Nc2cnn(C)c2)C1)CC(F)(F)F.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is QDYQWCXDQLPVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-3-21(10-14(15,16)17)7-11-4-5-22(8-11)13(23)19-12-6-18-20(2)9-12/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,19,23).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86799551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).