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

C18H27N5O2 — CID 70726464

IUPAC[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(c2nccn2CCOC)CC1
InChIInChI=1S/C18H27N5O2/c1-3-4-16-15(13-20-21-16)18(24)23-8-5-14(6-9-23)17-19-7-10-22(17)11-12-25-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyLXHYSTULZTUVLI-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.22
Rot. Bonds7

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

[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 70726464) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID70726464
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(c2nccn2CCOC)CC1
InChIInChI=1S/C18H27N5O2/c1-3-4-16-15(13-20-21-16)18(24)23-8-5-14(6-9-23)17-19-7-10-22(17)11-12-25-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyLXHYSTULZTUVLI-UHFFFAOYSA-N
XLogP2.22
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 70726464) is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCC(c2nccn2CCOC)CC1.
What is the InChIKey of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is LXHYSTULZTUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-4-16-15(13-20-21-16)18(24)23-8-5-14(6-9-23)17-19-7-10-22(17)11-12-25-2/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70726464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).