2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide

C15H21F3N4O2 — CID 155963917

IUPAC2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H21F3N4O2/c1-8(2)13(23)19-6-10-4-5-22(7-10)14(24)11-9(3)20-21-12(11)15(16,17)18/h8,10H,4-7H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJYUHDVVAEOEKBV-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide

2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 155963917) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID155963917
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H21F3N4O2/c1-8(2)13(23)19-6-10-4-5-22(7-10)14(24)11-9(3)20-21-12(11)15(16,17)18/h8,10H,4-7H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJYUHDVVAEOEKBV-UHFFFAOYSA-N
XLogP1.97
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide (CID 155963917) is 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide is Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC(CNC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is JYUHDVVAEOEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-8(2)13(23)19-6-10-4-5-22(7-10)14(24)11-9(3)20-21-12(11)15(16,17)18/h8,10H,4-7H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide?
2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 346.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 155963917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).