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

C13H18ClN3O — CID 126965558

IUPAC2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCCCn1cc(NCc2ccccc2O)cn1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-2-7-16-10-12(9-15-16)14-8-11-5-3-4-6-13(11)17;/h3-6,9-10,14,17H,2,7-8H2,1H3;1H
InChIKeyXODSWLAROGOUMD-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.03
Rot. Bonds5

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

2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (PubChem CID 126965558) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
PubChem CID126965558
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCCCn1cc(NCc2ccccc2O)cn1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-2-7-16-10-12(9-15-16)14-8-11-5-3-4-6-13(11)17;/h3-6,9-10,14,17H,2,7-8H2,1H3;1H
InChIKeyXODSWLAROGOUMD-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.03
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

2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
CID 126967736
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167620
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
2-bromo-6-[[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 110928826
N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
CID 66418036
1-[[(1-ethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 43543502

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The IUPAC name of 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (CID 126965558) is 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride is CCCn1cc(NCc2ccccc2O)cn1.Cl.
What is the InChIKey of 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The InChIKey is XODSWLAROGOUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-2-7-16-10-12(9-15-16)14-8-11-5-3-4-6-13(11)17;/h3-6,9-10,14,17H,2,7-8H2,1H3;1H.
What are the key properties of 2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.03, 5 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)amino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126965558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).