[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C17H22N4O — CID 121279606

IUPAC[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1
InChIInChI=1S/C17H22N4O/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-13(10-21)14-5-4-12(3)9-18-14/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyJMACJFLVWXOBKX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds3

About [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279606) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279606
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1
InChIInChI=1S/C17H22N4O/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-13(10-21)14-5-4-12(3)9-18-14/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyJMACJFLVWXOBKX-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
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
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
US10022354, Example 5
CID 121279569
N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
IL-17 modulator 4
CID 153616520
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

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279606) is [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1.
What is the InChIKey of [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is JMACJFLVWXOBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-13(10-21)14-5-4-12(3)9-18-14/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,19,20).
What are the key properties of [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).