4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid

C14H23F3N4O3 — CID 170168595

IUPAC4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid
SMILESCNC(CC(C)C)C(=O)NCc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O.C2HF3O2/c1-9(2)5-11(13-3)12(17)14-6-10-7-15-16(4)8-10;3-2(4,5)1(6)7/h7-9,11,13H,5-6H2,1-4H3,(H,14,17);(H,6,7)
InChIKeyKVSIZIPMTBCSJT-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.30
Rot. Bonds6

About 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid

4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid (PubChem CID 170168595) has the molecular formula C14H23F3N4O3 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid
PubChem CID170168595
Molecular FormulaC14H23F3N4O3
Molecular Weight352.36 g/mol
Exact Mass352.17
IUPAC Name4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid
SMILESCNC(CC(C)C)C(=O)NCc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O.C2HF3O2/c1-9(2)5-11(13-3)12(17)14-6-10-7-15-16(4)8-10;3-2(4,5)1(6)7/h7-9,11,13H,5-6H2,1-4H3,(H,14,17);(H,6,7)
InChIKeyKVSIZIPMTBCSJT-UHFFFAOYSA-N
XLogP1.30
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
tert-butyl N-[(2S)-4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamate
CID 169192537
(3R)-N-[(2S)-4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]thiomorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 170169606
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 61349459
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
tert-butyl (2S)-4,4-difluoro-2-[[(2S)-4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 169192459

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid (CID 170168595) is 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid is CNC(CC(C)C)C(=O)NCc1cnn(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KVSIZIPMTBCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.C2HF3O2/c1-9(2)5-11(13-3)12(17)14-6-10-7-15-16(4)8-10;3-2(4,5)1(6)7/h7-9,11,13H,5-6H2,1-4H3,(H,14,17);(H,6,7).
What are the key properties of 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid?
4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 352.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170168595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).