[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

C22H31N5O — CID 42164676

IUPAC[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C22H31N5O/c1-3-17-16-23-24-21(17)18-8-10-27(11-9-18)22(28)19-4-6-20(7-5-19)26-14-12-25(2)13-15-26/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,24)
InChIKeyQOZTVYZRCIDPQU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.74
Rot. Bonds4

About [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (PubChem CID 42164676) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
PubChem CID42164676
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C22H31N5O/c1-3-17-16-23-24-21(17)18-8-10-27(11-9-18)22(28)19-4-6-20(7-5-19)26-14-12-25(2)13-15-26/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,24)
InChIKeyQOZTVYZRCIDPQU-UHFFFAOYSA-N
XLogP2.74
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (CID 42164676) is [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is CCc1cn[nH]c1C1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The InChIKey is QOZTVYZRCIDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-17-16-23-24-21(17)18-8-10-27(11-9-18)22(28)19-4-6-20(7-5-19)26-14-12-25(2)13-15-26/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,24).
What are the key properties of [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 42164676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).