1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C13H14N4O — CID 110269341

IUPAC1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1c1ccccn1
InChIInChI=1S/C13H14N4O/c18-13(11-6-8-15-16-11)17-9-3-5-12(17)10-4-1-2-7-14-10/h1-2,4,6-8,12H,3,5,9H2,(H,15,16)
InChIKeyYOMQABPNOCSTKQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.78
Rot. Bonds2

About 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 110269341) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID110269341
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1c1ccccn1
InChIInChI=1S/C13H14N4O/c18-13(11-6-8-15-16-11)17-9-3-5-12(17)10-4-1-2-7-14-10/h1-2,4,6-8,12H,3,5,9H2,(H,15,16)
InChIKeyYOMQABPNOCSTKQ-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687
US10022354, Example 69
CID 121279703
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 110269341) is 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccn[nH]1)N1CCCC1c1ccccn1.
What is the InChIKey of 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is YOMQABPNOCSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(11-6-8-15-16-11)17-9-3-5-12(17)10-4-1-2-7-14-10/h1-2,4,6-8,12H,3,5,9H2,(H,15,16).
What are the key properties of 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110269341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).