[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H19N5O — CID 56779749

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-2-13-15-7-9-19(13)11-4-3-8-18(10-11)14(20)12-5-6-16-17-12/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyMHBKMCFFSMZJHU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.65
Rot. Bonds3

About [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 56779749) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID56779749
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-2-13-15-7-9-19(13)11-4-3-8-18(10-11)14(20)12-5-6-16-17-12/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyMHBKMCFFSMZJHU-UHFFFAOYSA-N
XLogP1.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 56779749) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CCc1nccn1C1CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is MHBKMCFFSMZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-13-15-7-9-19(13)11-4-3-8-18(10-11)14(20)12-5-6-16-17-12/h5-7,9,11H,2-4,8,10H2,1H3,(H,16,17).
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 56779749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).