[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C17H23N5O — CID 97384339

IUPAC[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H23N5O/c1-20(2)15-7-9-22(17(23)14-6-4-5-8-18-14)16(15)10-13-11-19-21(3)12-13/h4-6,8,11-12,15-16H,7,9-10H2,1-3H3/t15-,16+/m1/s1
InChIKeyBWQTXJJUEPGMME-CVEARBPZSA-N
MW313.40 g/mol
LogP1.20
Rot. Bonds4

About [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 97384339) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID97384339
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C17H23N5O/c1-20(2)15-7-9-22(17(23)14-6-4-5-8-18-14)16(15)10-13-11-19-21(3)12-13/h4-6,8,11-12,15-16H,7,9-10H2,1-3H3/t15-,16+/m1/s1
InChIKeyBWQTXJJUEPGMME-CVEARBPZSA-N
XLogP1.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 97384339) is [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is CN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BWQTXJJUEPGMME-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(2)15-7-9-22(17(23)14-6-4-5-8-18-14)16(15)10-13-11-19-21(3)12-13/h4-6,8,11-12,15-16H,7,9-10H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97384339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).