2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C19H34N4O — CID 45174667

IUPAC2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(C3CCCC3)C(CCO)C2)c1C
InChIInChI=1S/C19H34N4O/c1-4-23-16(3)19(15(2)20-23)14-21-10-11-22(17-7-5-6-8-17)18(13-21)9-12-24/h17-18,24H,4-14H2,1-3H3
InChIKeyAJHMBCOWFXCJEZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.33
Rot. Bonds6

About 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45174667) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45174667
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(C3CCCC3)C(CCO)C2)c1C
InChIInChI=1S/C19H34N4O/c1-4-23-16(3)19(15(2)20-23)14-21-10-11-22(17-7-5-6-8-17)18(13-21)9-12-24/h17-18,24H,4-14H2,1-3H3
InChIKeyAJHMBCOWFXCJEZ-UHFFFAOYSA-N
XLogP2.33
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45174667) is 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCn1nc(C)c(CN2CCN(C3CCCC3)C(CCO)C2)c1C.
What is the InChIKey of 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is AJHMBCOWFXCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-23-16(3)19(15(2)20-23)14-21-10-11-22(17-7-5-6-8-17)18(13-21)9-12-24/h17-18,24H,4-14H2,1-3H3.
What are the key properties of 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 334.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).