2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide

C17H23N5O2 — CID 125023156

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-13-9-14(2)22(20-13)10-16(23)19-11-17(24)6-8-21(12-17)15-5-3-4-7-18-15/h3-5,7,9,24H,6,8,10-12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyYVZYAWAAHAIULR-QGZVFWFLSA-N
MW329.40 g/mol
LogP0.65
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 125023156) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
PubChem CID125023156
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-13-9-14(2)22(20-13)10-16(23)19-11-17(24)6-8-21(12-17)15-5-3-4-7-18-15/h3-5,7,9,24H,6,8,10-12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyYVZYAWAAHAIULR-QGZVFWFLSA-N
XLogP0.65
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110124192
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
CID 124943074
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110124261
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119104
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 124946133
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125018501

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide (CID 125023156) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is YVZYAWAAHAIULR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-9-14(2)22(20-13)10-16(23)19-11-17(24)6-8-21(12-17)15-5-3-4-7-18-15/h3-5,7,9,24H,6,8,10-12H2,1-2H3,(H,19,23)/t17-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 125023156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).