2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C23H43N5O — CID 45187943

IUPAC2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C2CCN(C(C)C)CC2)C(CCO)C1
InChIInChI=1S/C23H43N5O/c1-17(2)26-10-7-21(8-11-26)27-13-12-25(15-22(27)9-14-29)16-23-19(5)24-28(18(3)4)20(23)6/h17-18,21-22,29H,7-16H2,1-6H3
InChIKeyUUSCNXCKOPEGFS-UHFFFAOYSA-N
MW405.63 g/mol
LogP2.82
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45187943) has the molecular formula C23H43N5O and a molecular weight of 405.63 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45187943
Molecular FormulaC23H43N5O
Molecular Weight405.63 g/mol
Exact Mass405.35
IUPAC Name2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C2CCN(C(C)C)CC2)C(CCO)C1
InChIInChI=1S/C23H43N5O/c1-17(2)26-10-7-21(8-11-26)27-13-12-25(15-22(27)9-14-29)16-23-19(5)24-28(18(3)4)20(23)6/h17-18,21-22,29H,7-16H2,1-6H3
InChIKeyUUSCNXCKOPEGFS-UHFFFAOYSA-N
XLogP2.82
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.63
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 164639511
{1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,3'-bipiperidin-4-yl}methanol
CID 45191499
2-[4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 56857138
2-[4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109930315
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
2-[4-[[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109935923
2-[3,5-Dimethyl-4-[[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 109936315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45187943) is 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCN(C(C)C)CC2)C(CCO)C1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is UUSCNXCKOPEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N5O/c1-17(2)26-10-7-21(8-11-26)27-13-12-25(15-22(27)9-14-29)16-23-19(5)24-28(18(3)4)20(23)6/h17-18,21-22,29H,7-16H2,1-6H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 405.63 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45187943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).