(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H24N6O — CID 121279684

IUPAC(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1
InChIInChI=1S/C20H24N6O/c1-4-17-9-19(24-23-17)20(27)26-6-5-14(12-26)18-8-15(7-13(2)22-18)16-10-21-25(3)11-16/h7-11,14H,4-6,12H2,1-3H3,(H,23,24)
InChIKeyUWYRRHICZDZAIZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.71
Rot. Bonds4

About (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 121279684) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID121279684
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1
InChIInChI=1S/C20H24N6O/c1-4-17-9-19(24-23-17)20(27)26-6-5-14(12-26)18-8-15(7-13(2)22-18)16-10-21-25(3)11-16/h7-11,14H,4-6,12H2,1-3H3,(H,23,24)
InChIKeyUWYRRHICZDZAIZ-UHFFFAOYSA-N
XLogP2.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 121279684) is (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is UWYRRHICZDZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-17-9-19(24-23-17)20(27)26-6-5-14(12-26)18-8-15(7-13(2)22-18)16-10-21-25(3)11-16/h7-11,14H,4-6,12H2,1-3H3,(H,23,24).
What are the key properties of (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-3-yl)-[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121279684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).