(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C9H12F3N3O — CID 164642527

IUPAC(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5(9(10,11)12)8(16)13-3-7-4-14-15-6(7)2/h4-5H,3H2,1-2H3,(H,13,16)(H,14,15)/t5-/m1/s1
InChIKeyMISUWIAVIBDUDJ-RXMQYKEDSA-N
MW235.21 g/mol
LogP1.53
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 164642527) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID164642527
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5(9(10,11)12)8(16)13-3-7-4-14-15-6(7)2/h4-5H,3H2,1-2H3,(H,13,16)(H,14,15)/t5-/m1/s1
InChIKeyMISUWIAVIBDUDJ-RXMQYKEDSA-N
XLogP1.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 164642527) is (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)[C@@H](C)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is MISUWIAVIBDUDJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(9(10,11)12)8(16)13-3-7-4-14-15-6(7)2/h4-5H,3H2,1-2H3,(H,13,16)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 235.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 164642527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).