(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C14H19N5O — CID 77087187

IUPAC(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(c3[nH]ncc3C)CC2)[nH]1
InChIInChI=1S/C14H19N5O/c1-9-7-16-18-12(9)11-3-5-19(6-4-11)14(20)13-15-8-10(2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyYAGXGBJUJVHHFA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds2

About (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 77087187) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID77087187
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(c3[nH]ncc3C)CC2)[nH]1
InChIInChI=1S/C14H19N5O/c1-9-7-16-18-12(9)11-3-5-19(6-4-11)14(20)13-15-8-10(2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyYAGXGBJUJVHHFA-UHFFFAOYSA-N
XLogP1.77
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 77087187) is (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC(c3[nH]ncc3C)CC2)[nH]1.
What is the InChIKey of (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YAGXGBJUJVHHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-7-16-18-12(9)11-3-5-19(6-4-11)14(20)13-15-8-10(2)17-13/h7-8,11H,3-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 77087187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).