2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C24H36ClN5O — CID 98579376

IUPAC2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2CCO)CC1
InChIInChI=1S/C24H36ClN5O/c1-19(2)28-10-7-21(8-11-28)29-13-12-27(18-22(29)9-14-31)16-20-15-26-30(17-20)24-6-4-3-5-23(24)25/h3-6,15,17,19,21-22,31H,7-14,16,18H2,1-2H3/t22-/m1/s1
InChIKeyFKCXPGHXYBVJSZ-JOCHJYFZSA-N
MW446.04 g/mol
LogP3.27
Rot. Bonds7

About 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98579376) has the molecular formula C24H36ClN5O and a molecular weight of 446.04 g/mol. Its IUPAC name is 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98579376
Molecular FormulaC24H36ClN5O
Molecular Weight446.04 g/mol
Exact Mass445.26
IUPAC Name2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2CCO)CC1
InChIInChI=1S/C24H36ClN5O/c1-19(2)28-10-7-21(8-11-28)29-13-12-27(18-22(29)9-14-31)16-20-15-26-30(17-20)24-6-4-3-5-23(24)25/h3-6,15,17,19,21-22,31H,7-14,16,18H2,1-2H3/t22-/m1/s1
InChIKeyFKCXPGHXYBVJSZ-JOCHJYFZSA-N
XLogP3.27
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-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

2-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45210237
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45198197
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29025292
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51635269
2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51622956
2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51902775
2-[(2R)-1-(1-propan-2-ylpiperidin-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98587542

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 98579376) is 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2CCO)CC1.
What is the InChIKey of 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is FKCXPGHXYBVJSZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H36ClN5O/c1-19(2)28-10-7-21(8-11-28)29-13-12-27(18-22(29)9-14-31)16-20-15-26-30(17-20)24-6-4-3-5-23(24)25/h3-6,15,17,19,21-22,31H,7-14,16,18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 446.04 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98579376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).