(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid

C14H19F2N3O3 — CID 97317535

IUPAC(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)6-12(20)18-5-3-4-10(7-18)13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyMUIVIHXZXVPNHW-JTQLQIEISA-N
MW315.32 g/mol
LogP1.76
Rot. Bonds4

About (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid (PubChem CID 97317535) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
PubChem CID97317535
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)6-12(20)18-5-3-4-10(7-18)13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyMUIVIHXZXVPNHW-JTQLQIEISA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic 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

5-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-5-oxopentanoic acid
CID 4061705
1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 71874510
1-[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
CID 71899340
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742494
3-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 143443375
2-(1-{[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl}-4-piperidyl)acetic acid
CID 25248528
1-(4-Acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 48650847
Ethyl 1-[1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate
CID 49675606
3,3,3-Trifluoro-1-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 51099287
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 71870606
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[3-(dimethylamino)propyl]piperidin-1-yl]ethanone
CID 75395925
3-[Cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 75428957

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid (CID 97317535) is (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid is Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is MUIVIHXZXVPNHW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)6-12(20)18-5-3-4-10(7-18)13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 97317535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).