(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H18F3N5O2 — CID 120951876

IUPAC(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)n(C)n1
InChIInChI=1S/C13H18F3N5O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-4-8(12(17)23)9(5-21)13(14,15)16/h3,8-9H,4-6H2,1-2H3,(H2,17,23)(H,18,22)/t8-,9-/m1/s1
InChIKeyOLVAPPSQXQUCFV-RKDXNWHRSA-N
MW333.31 g/mol
LogP0.26
Rot. Bonds4

About (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120951876) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120951876
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)n(C)n1
InChIInChI=1S/C13H18F3N5O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-4-8(12(17)23)9(5-21)13(14,15)16/h3,8-9H,4-6H2,1-2H3,(H2,17,23)(H,18,22)/t8-,9-/m1/s1
InChIKeyOLVAPPSQXQUCFV-RKDXNWHRSA-N
XLogP0.26
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 36801870
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 99784815
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
N-(2,5-dimethylpyrazol-3-yl)-2-(1,4-thiazepan-4-yl)acetamide
CID 84591849
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120951876) is (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)n(C)n1.
What is the InChIKey of (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OLVAPPSQXQUCFV-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-7-3-10(20(2)19-7)18-11(22)6-21-4-8(12(17)23)9(5-21)13(14,15)16/h3,8-9H,4-6H2,1-2H3,(H2,17,23)(H,18,22)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120951876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).