(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C13H17N5O — CID 56754123

IUPAC(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cncc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H17N5O/c1-17-9-14-7-12(17)13(19)18-6-2-3-10(8-18)11-4-5-15-16-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBXPPIXHTIQQPDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.16
Rot. Bonds2

About (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56754123) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56754123
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cncc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H17N5O/c1-17-9-14-7-12(17)13(19)18-6-2-3-10(8-18)11-4-5-15-16-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBXPPIXHTIQQPDF-UHFFFAOYSA-N
XLogP1.16
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56754123) is (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cn1cncc1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BXPPIXHTIQQPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-9-14-7-12(17)13(19)18-6-2-3-10(8-18)11-4-5-15-16-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56754123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).