2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C14H26N4O — CID 45218135

IUPAC2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1cc(CN2CCN(C(C)C)C(CCO)C2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-11(2)18-6-5-17(10-14(18)4-7-19)9-13-8-12(3)15-16-13/h8,11,14,19H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyXXCOHFAVFDAFDF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 45218135) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID45218135
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1cc(CN2CCN(C(C)C)C(CCO)C2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-11(2)18-6-5-17(10-14(18)4-7-19)9-13-8-12(3)15-16-13/h8,11,14,19H,4-7,9-10H2,1-3H3,(H,15,16)
InChIKeyXXCOHFAVFDAFDF-UHFFFAOYSA-N
XLogP1.00
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 45218135) is 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is Cc1cc(CN2CCN(C(C)C)C(CCO)C2)n[nH]1.
What is the InChIKey of 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is XXCOHFAVFDAFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)18-6-5-17(10-14(18)4-7-19)9-13-8-12(3)15-16-13/h8,11,14,19H,4-7,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45218135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).