2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C23H36N4O — CID 51634408

IUPAC2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCCCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C23H36N4O/c1-3-12-27-20(2)22(17-24-27)18-25-14-15-26(23(19-25)11-16-28)13-7-10-21-8-5-4-6-9-21/h4-6,8-9,17,23,28H,3,7,10-16,18-19H2,1-2H3/t23-/m0/s1
InChIKeyCRTNSWILELHMDV-QHCPKHFHSA-N
MW384.57 g/mol
LogP3.10
Rot. Bonds10

About 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 51634408) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID51634408
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCCCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C23H36N4O/c1-3-12-27-20(2)22(17-24-27)18-25-14-15-26(23(19-25)11-16-28)13-7-10-21-8-5-4-6-9-21/h4-6,8-9,17,23,28H,3,7,10-16,18-19H2,1-2H3/t23-/m0/s1
InChIKeyCRTNSWILELHMDV-QHCPKHFHSA-N
XLogP3.10
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 51634408) is 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is CCCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is CRTNSWILELHMDV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H36N4O/c1-3-12-27-20(2)22(17-24-27)18-25-14-15-26(23(19-25)11-16-28)13-7-10-21-8-5-4-6-9-21/h4-6,8-9,17,23,28H,3,7,10-16,18-19H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 384.57 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51634408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).