[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone

C22H32N4O2 — CID 75422855

IUPAC[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCCc1c(C(=O)N2CCN(CC(C)O)C(CC)C2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O2/c1-5-18-15-25(12-11-24(18)14-17(4)27)22(28)20-13-23-26(21(20)6-2)19-9-7-16(3)8-10-19/h7-10,13,17-18,27H,5-6,11-12,14-15H2,1-4H3
InChIKeyQYDGYDQWNNKRBT-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.66
Rot. Bonds6

About [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone

[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 75422855) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
PubChem CID75422855
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCCc1c(C(=O)N2CCN(CC(C)O)C(CC)C2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O2/c1-5-18-15-25(12-11-24(18)14-17(4)27)22(28)20-13-23-26(21(20)6-2)19-9-7-16(3)8-10-19/h7-10,13,17-18,27H,5-6,11-12,14-15H2,1-4H3
InChIKeyQYDGYDQWNNKRBT-UHFFFAOYSA-N
XLogP2.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone (CID 75422855) is [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone is CCc1c(C(=O)N2CCN(CC(C)O)C(CC)C2)cnn1-c1ccc(C)cc1.
What is the InChIKey of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is QYDGYDQWNNKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-18-15-25(12-11-24(18)14-17(4)27)22(28)20-13-23-26(21(20)6-2)19-9-7-16(3)8-10-19/h7-10,13,17-18,27H,5-6,11-12,14-15H2,1-4H3.
What are the key properties of [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone?
[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 384.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 75422855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).