2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride

C15H22ClN3O2 — CID 126965311

IUPAC2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCCCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-4-7-18-10-13(11(2)17-18)16-9-12-5-6-14(19)15(8-12)20-3;/h5-6,8,10,16,19H,4,7,9H2,1-3H3;1H
InChIKeyBXXQYPYSNBXHGJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.35
Rot. Bonds6

About 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride

2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (PubChem CID 126965311) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
PubChem CID126965311
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCCCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-4-7-18-10-13(11(2)17-18)16-9-12-5-6-14(19)15(8-12)20-3;/h5-6,8,10,16,19H,4,7,9H2,1-3H3;1H
InChIKeyBXXQYPYSNBXHGJ-UHFFFAOYSA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965332
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (CID 126965311) is 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride is CCCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1.Cl.
What is the InChIKey of 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The InChIKey is BXXQYPYSNBXHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-4-7-18-10-13(11(2)17-18)16-9-12-5-6-14(19)15(8-12)20-3;/h5-6,8,10,16,19H,4,7,9H2,1-3H3;1H.
What are the key properties of 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126965311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).