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

C21H38N4O — CID 45172236

IUPAC2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C
InChIInChI=1S/C21H38N4O/c1-4-25-18(3)21(17(2)22-25)16-23-11-12-24(20(15-23)10-13-26)14-19-8-6-5-7-9-19/h19-20,26H,4-16H2,1-3H3
InChIKeyHRVXYOHABUEVGL-UHFFFAOYSA-N
MW362.56 g/mol
LogP2.97
Rot. Bonds7

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

2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45172236) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45172236
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1nc(C)c(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C
InChIInChI=1S/C21H38N4O/c1-4-25-18(3)21(17(2)22-25)16-23-11-12-24(20(15-23)10-13-26)14-19-8-6-5-7-9-19/h19-20,26H,4-16H2,1-3H3
InChIKeyHRVXYOHABUEVGL-UHFFFAOYSA-N
XLogP2.97
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-cyclohexyl-2-piperazinyl}ethanol
CID 16192106
1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 28768981
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
2-{1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45193705
1-[1-[(3,5-Dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935822
1-[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935854
1-[1-[(3,5-Diethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935922
2-[4-[[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109935923
2,2,2-Trifluoro-1-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 112326858
2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-2-piperazinyl}ethanol
CID 45173780

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45172236) is 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCn1nc(C)c(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is HRVXYOHABUEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O/c1-4-25-18(3)21(17(2)22-25)16-23-11-12-24(20(15-23)10-13-26)14-19-8-6-5-7-9-19/h19-20,26H,4-16H2,1-3H3.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 362.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45172236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).