4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol

C15H21N3O — CID 103851578

IUPAC4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
SMILESCc1c(CNC(C)Cc2ccc(O)cc2)cnn1C
InChIInChI=1S/C15H21N3O/c1-11(8-13-4-6-15(19)7-5-13)16-9-14-10-17-18(3)12(14)2/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeyYRFNCWCKHUZTLI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.15
Rot. Bonds5

About 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol

4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol (PubChem CID 103851578) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
PubChem CID103851578
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
SMILESCc1c(CNC(C)Cc2ccc(O)cc2)cnn1C
InChIInChI=1S/C15H21N3O/c1-11(8-13-4-6-15(19)7-5-13)16-9-14-10-17-18(3)12(14)2/h4-7,10-11,16,19H,8-9H2,1-3H3
InChIKeyYRFNCWCKHUZTLI-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613087

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol (CID 103851578) is 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol is Cc1c(CNC(C)Cc2ccc(O)cc2)cnn1C.
What is the InChIKey of 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol?
The InChIKey is YRFNCWCKHUZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(8-13-4-6-15(19)7-5-13)16-9-14-10-17-18(3)12(14)2/h4-7,10-11,16,19H,8-9H2,1-3H3.
What are the key properties of 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol?
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol is sourced from PubChem (CID 103851578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).