cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone

C19H24N4O2 — CID 10315209

IUPACcyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(16-1-2-16)23-11-9-22(10-12-23)13-14-25-17-5-3-15(4-6-17)18-7-8-20-21-18/h3-8,16H,1-2,9-14H2,(H,20,21)
InChIKeyPJEGZUVRRZWYES-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.01
Rot. Bonds6

About cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone (PubChem CID 10315209) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
PubChem CID10315209
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namecyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(16-1-2-16)23-11-9-22(10-12-23)13-14-25-17-5-3-15(4-6-17)18-7-8-20-21-18/h3-8,16H,1-2,9-14H2,(H,20,21)
InChIKeyPJEGZUVRRZWYES-UHFFFAOYSA-N
XLogP2.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone (CID 10315209) is cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone?
The InChIKey is PJEGZUVRRZWYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(16-1-2-16)23-11-9-22(10-12-23)13-14-25-17-5-3-15(4-6-17)18-7-8-20-21-18/h3-8,16H,1-2,9-14H2,(H,20,21).
What are the key properties of cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10315209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).