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

C17H32N4O — CID 45242791

IUPAC2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO
InChIInChI=1S/C17H32N4O/c1-13(2)10-21-7-6-20(12-16(21)5-8-22)11-15-9-17(14(3)4)19-18-15/h9,13-14,16,22H,5-8,10-12H2,1-4H3,(H,18,19)
InChIKeyCZHDEHFPDKKDDH-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.06
Rot. Bonds7

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

2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45242791) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45242791
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO
InChIInChI=1S/C17H32N4O/c1-13(2)10-21-7-6-20(12-16(21)5-8-22)11-15-9-17(14(3)4)19-18-15/h9,13-14,16,22H,5-8,10-12H2,1-4H3,(H,18,19)
InChIKeyCZHDEHFPDKKDDH-UHFFFAOYSA-N
XLogP2.06
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]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

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
2-{1-(4-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 16190340
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190009
2-{1-isopropyl-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45218135
2-{1-(3-methyl-2-buten-1-yl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45222193
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
[1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91770286
2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
CID 29216590
2-{1-(2-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 45241583
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 45242791) is 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO.
What is the InChIKey of 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is CZHDEHFPDKKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-13(2)10-21-7-6-20(12-16(21)5-8-22)11-15-9-17(14(3)4)19-18-15/h9,13-14,16,22H,5-8,10-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 308.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45242791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).