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

C11H17F3N4O — CID 124624513

IUPAC(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-9(5-16-17-7)4-15-10(19)8(2)18(3)6-11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,19)(H,16,17)/t8-/m1/s1
InChIKeyJJFAEDVMPDXUOR-MRVPVSSYSA-N
MW278.28 g/mol
LogP1.22
Rot. Bonds5

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

(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 124624513) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID124624513
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-9(5-16-17-7)4-15-10(19)8(2)18(3)6-11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,19)(H,16,17)/t8-/m1/s1
InChIKeyJJFAEDVMPDXUOR-MRVPVSSYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide with MolForge

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
CID 124751548
(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 126423142
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 124624513) is (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is Cc1[nH]ncc1CNC(=O)[C@@H](C)N(C)CC(F)(F)F.
What is the InChIKey of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is JJFAEDVMPDXUOR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7-9(5-16-17-7)4-15-10(19)8(2)18(3)6-11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,19)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 278.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 124624513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).