2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide

C17H23N5O — CID 95609750

IUPAC2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cccnc2)n1
InChIInChI=1S/C17H23N5O/c1-13-9-14(2)22(20-13)11-16-6-4-8-21(16)12-17(23)19-15-5-3-7-18-10-15/h3,5,7,9-10,16H,4,6,8,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyRTBYLFRUWMTOPS-INIZCTEOSA-N
MW313.40 g/mol
LogP2.00
Rot. Bonds5

About 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide

2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 95609750) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID95609750
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cccnc2)n1
InChIInChI=1S/C17H23N5O/c1-13-9-14(2)22(20-13)11-16-6-4-8-21(16)12-17(23)19-15-5-3-7-18-10-15/h3,5,7,9-10,16H,4,6,8,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyRTBYLFRUWMTOPS-INIZCTEOSA-N
XLogP2.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95308448
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 95349254
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 56779569
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 92612941
3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
CID 136542565
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide (CID 95609750) is 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide is Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2cccnc2)n1.
What is the InChIKey of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is RTBYLFRUWMTOPS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-9-14(2)22(20-13)11-16-6-4-8-21(16)12-17(23)19-15-5-3-7-18-10-15/h3,5,7,9-10,16H,4,6,8,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 95609750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).