1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone

C19H22N4O2 — CID 56787271

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(-c2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(21-10-12-22(13-11-21)19(25)16-6-7-16)14-23-9-8-17(20-23)15-4-2-1-3-5-15/h1-5,8-9,16H,6-7,10-14H2
InChIKeyVJRMIXBWLLKJJF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.63
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone (PubChem CID 56787271) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone
PubChem CID56787271
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(-c2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(21-10-12-22(13-11-21)19(25)16-6-7-16)14-23-9-8-17(20-23)15-4-2-1-3-5-15/h1-5,8-9,16H,6-7,10-14H2
InChIKeyVJRMIXBWLLKJJF-UHFFFAOYSA-N
XLogP1.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone (CID 56787271) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone is O=C(Cn1ccc(-c2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone?
The InChIKey is VJRMIXBWLLKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(21-10-12-22(13-11-21)19(25)16-6-7-16)14-23-9-8-17(20-23)15-4-2-1-3-5-15/h1-5,8-9,16H,6-7,10-14H2.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-phenylpyrazol-1-yl)ethanone is sourced from PubChem (CID 56787271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).