[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C13H14N4O — CID 110269307

IUPAC[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H14N4O/c18-13(10-3-1-6-14-9-10)17-8-2-4-12(17)11-5-7-15-16-11/h1,3,5-7,9,12H,2,4,8H2,(H,15,16)
InChIKeyQCBJWQDELQZMSP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.78
Rot. Bonds2

About [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110269307) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110269307
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C13H14N4O/c18-13(10-3-1-6-14-9-10)17-8-2-4-12(17)11-5-7-15-16-11/h1,3,5-7,9,12H,2,4,8H2,(H,15,16)
InChIKeyQCBJWQDELQZMSP-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
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
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

Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110269307) is [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QCBJWQDELQZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(10-3-1-6-14-9-10)17-8-2-4-12(17)11-5-7-15-16-11/h1,3,5-7,9,12H,2,4,8H2,(H,15,16).
What are the key properties of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone 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 [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110269307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).