2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride

C14H20ClN3O — CID 126965886

IUPAC2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
SMILESCCCn1cc(CNCc2ccccc2O)cn1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-7-17-11-12(9-16-17)8-15-10-13-5-3-4-6-14(13)18;/h3-6,9,11,15,18H,2,7-8,10H2,1H3;1H
InChIKeyTUZRZVRAUXVPJK-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.71
Rot. Bonds6

About 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride

2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride (PubChem CID 126965886) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
PubChem CID126965886
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
SMILESCCCn1cc(CNCc2ccccc2O)cn1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-2-7-17-11-12(9-16-17)8-15-10-13-5-3-4-6-14(13)18;/h3-6,9,11,15,18H,2,7-8,10H2,1H3;1H
InChIKeyTUZRZVRAUXVPJK-UHFFFAOYSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167320

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride (CID 126965886) is 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride is CCCn1cc(CNCc2ccccc2O)cn1.Cl.
What is the InChIKey of 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride?
The InChIKey is TUZRZVRAUXVPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-2-7-17-11-12(9-16-17)8-15-10-13-5-3-4-6-14(13)18;/h3-6,9,11,15,18H,2,7-8,10H2,1H3;1H.
What are the key properties of 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride?
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126965886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).