2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H17ClN4O2 — CID 97248069

IUPAC2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(Cl)cn2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-11(8-19-20)15(22)7-13-3-2-6-21(13)16(23)14-5-4-12(17)9-18-14/h4-5,8-10,13H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyXVYFCUWHLZLXTO-CYBMUJFWSA-N
MW332.79 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 97248069) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID97248069
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(Cl)cn2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-11(8-19-20)15(22)7-13-3-2-6-21(13)16(23)14-5-4-12(17)9-18-14/h4-5,8-10,13H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyXVYFCUWHLZLXTO-CYBMUJFWSA-N
XLogP2.35
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248046
2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393461
2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
2-[1-(imidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435138
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136516635
1-(1-methylpyrazol-4-yl)-2-[1-(5-nitrofuran-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 75393455
2-[1-(2-cyclopropylcyclopropanecarbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393459
2-[1-[2-(2,4-difluorophenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84592445
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 97248069) is 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(Cl)cn2)cn1.
What is the InChIKey of 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is XVYFCUWHLZLXTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-20-10-11(8-19-20)15(22)7-13-3-2-6-21(13)16(23)14-5-4-12(17)9-18-14/h4-5,8-10,13H,2-3,6-7H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 332.79 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 97248069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).