N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide

C13H22N6O2 — CID 99784815

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C13H22N6O2/c1-9-6-11(18(3)17-9)16-12(20)8-19-5-4-10(7-19)15-13(21)14-2/h6,10H,4-5,7-8H2,1-3H3,(H,16,20)(H2,14,15,21)/t10-/m1/s1
InChIKeyAIVRJEIUTKUMBH-SNVBAGLBSA-N
MW294.36 g/mol
LogP-0.33
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide (PubChem CID 99784815) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
PubChem CID99784815
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(C)nn2C)C1
InChIInChI=1S/C13H22N6O2/c1-9-6-11(18(3)17-9)16-12(20)8-19-5-4-10(7-19)15-13(21)14-2/h6,10H,4-5,7-8H2,1-3H3,(H,16,20)(H2,14,15,21)/t10-/m1/s1
InChIKeyAIVRJEIUTKUMBH-SNVBAGLBSA-N
XLogP-0.33
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
N-(2,5-dimethylpyrazol-3-yl)-2-(1,4-thiazepan-4-yl)acetamide
CID 84591849
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778787
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 36801870
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 95331668

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide (CID 99784815) is N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide is CNC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(C)nn2C)C1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is AIVRJEIUTKUMBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9-6-11(18(3)17-9)16-12(20)8-19-5-4-10(7-19)15-13(21)14-2/h6,10H,4-5,7-8H2,1-3H3,(H,16,20)(H2,14,15,21)/t10-/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 99784815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).