4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride

C14H20ClN3O2 — CID 126964545

IUPAC4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
SMILESCCCn1ccc(CNCc2ccc(O)cc2O)n1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-6-17-7-5-12(16-17)10-15-9-11-3-4-13(18)8-14(11)19;/h3-5,7-8,15,18-19H,2,6,9-10H2,1H3;1H
InChIKeyUKKFKZLXWSRFFU-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.42
Rot. Bonds6

About 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride

4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride (PubChem CID 126964545) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
PubChem CID126964545
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
SMILESCCCn1ccc(CNCc2ccc(O)cc2O)n1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-6-17-7-5-12(16-17)10-15-9-11-3-4-13(18)8-14(11)19;/h3-5,7-8,15,18-19H,2,6,9-10H2,1H3;1H
InChIKeyUKKFKZLXWSRFFU-UHFFFAOYSA-N
XLogP2.42
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
2-[[[1-(2-methylpropyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126965242
4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
2-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid;hydrochloride
CID 126966178
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride (CID 126964545) is 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride is CCCn1ccc(CNCc2ccc(O)cc2O)n1.Cl.
What is the InChIKey of 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride?
The InChIKey is UKKFKZLXWSRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-2-6-17-7-5-12(16-17)10-15-9-11-3-4-13(18)8-14(11)19;/h3-5,7-8,15,18-19H,2,6,9-10H2,1H3;1H.
What are the key properties of 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride?
4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 126964545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).