(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H24N6O — CID 16670680

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)c1C
InChIInChI=1S/C20H24N6O/c1-3-26-14(2)17(13-23-26)20(27)25-10-6-16(7-11-25)19-18(12-22-24-19)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyZFPIWLCFGVUXSG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.02
Rot. Bonds4

About (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 16670680) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID16670680
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)c1C
InChIInChI=1S/C20H24N6O/c1-3-26-14(2)17(13-23-26)20(27)25-10-6-16(7-11-25)19-18(12-22-24-19)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyZFPIWLCFGVUXSG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 16670680) is (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCn1ncc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZFPIWLCFGVUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-26-14(2)17(13-23-26)20(27)25-10-6-16(7-11-25)19-18(12-22-24-19)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).