4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol

C17H24N2O2 — CID 83058317

IUPAC4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
SMILESCCC(CC)n1ccc(CC(C)(O)c2ccc(O)cc2)n1
InChIInChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-17(3,21)13-6-8-16(20)9-7-13/h6-11,15,20-21H,4-5,12H2,1-3H3
InChIKeyNGTLKJFSHHCGHK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.40
Rot. Bonds6

About 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol

4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol (PubChem CID 83058317) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
PubChem CID83058317
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
SMILESCCC(CC)n1ccc(CC(C)(O)c2ccc(O)cc2)n1
InChIInChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-17(3,21)13-6-8-16(20)9-7-13/h6-11,15,20-21H,4-5,12H2,1-3H3
InChIKeyNGTLKJFSHHCGHK-UHFFFAOYSA-N
XLogP3.40
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 66002071
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
1-(cyclopropylamino)-2-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 66038687
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
4-[2-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]benzonitrile
CID 115481635
3-(4-bromo-2,2-dimethylpentyl)-1-pentan-3-ylpyrazole
CID 64778970
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389937
1-(1-butan-2-ylpyrazol-3-yl)-2-(3-fluorophenyl)propan-2-ol
CID 64783480

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol?
The IUPAC name of 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol (CID 83058317) is 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol is CCC(CC)n1ccc(CC(C)(O)c2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol?
The InChIKey is NGTLKJFSHHCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-17(3,21)13-6-8-16(20)9-7-13/h6-11,15,20-21H,4-5,12H2,1-3H3.
What are the key properties of 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol?
4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol has a molecular weight of 288.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol is sourced from PubChem (CID 83058317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).