N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C15H23F3N4O2 — CID 128987278

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2cnn(CCC(F)(F)F)c2)N(C)C1
InChIInChI=1S/C15H23F3N4O2/c1-20-10-13(24-3)6-12(20)9-21(2)14(23)11-7-19-22(8-11)5-4-15(16,17)18/h7-8,12-13H,4-6,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyBLGZMONKWWUTGK-STQMWFEESA-N
MW348.37 g/mol
LogP1.63
Rot. Bonds6

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 128987278) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID128987278
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2cnn(CCC(F)(F)F)c2)N(C)C1
InChIInChI=1S/C15H23F3N4O2/c1-20-10-13(24-3)6-12(20)9-21(2)14(23)11-7-19-22(8-11)5-4-15(16,17)18/h7-8,12-13H,4-6,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyBLGZMONKWWUTGK-STQMWFEESA-N
XLogP1.63
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 128987278) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is CO[C@H]1C[C@@H](CN(C)C(=O)c2cnn(CCC(F)(F)F)c2)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is BLGZMONKWWUTGK-STQMWFEESA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-20-10-13(24-3)6-12(20)9-21(2)14(23)11-7-19-22(8-11)5-4-15(16,17)18/h7-8,12-13H,4-6,9-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 128987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).