(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol

C19H28N4O — CID 95341722

IUPAC(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1nn(C)c(C)c1CN1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15-18(16(2)21(3)20-15)13-22-9-11-23(12-10-22)14-19(24)17-7-5-4-6-8-17/h4-8,19,24H,9-14H2,1-3H3/t19-/m1/s1
InChIKeyUPJRXQKATJYJIK-LJQANCHMSA-N
MW328.46 g/mol
LogP1.89
Rot. Bonds5

About (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol

(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 95341722) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID95341722
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1nn(C)c(C)c1CN1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15-18(16(2)21(3)20-15)13-22-9-11-23(12-10-22)14-19(24)17-7-5-4-6-8-17/h4-8,19,24H,9-14H2,1-3H3/t19-/m1/s1
InChIKeyUPJRXQKATJYJIK-LJQANCHMSA-N
XLogP1.89
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
2-amino-2-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 119903167
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
2-amino-3-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119903178
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 126806416
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86895153

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 95341722) is (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is UPJRXQKATJYJIK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-18(16(2)21(3)20-15)13-22-9-11-23(12-10-22)14-19(24)17-7-5-4-6-8-17/h4-8,19,24H,9-14H2,1-3H3/t19-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol?
(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 328.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 95341722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).