4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol

C14H19N3O — CID 78943311

IUPAC4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-11(7-12-3-5-14(18)6-4-12)15-8-13-9-16-17(2)10-13/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyQNXVRGRHRGLTNH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.85
Rot. Bonds5

About 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol

4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol (PubChem CID 78943311) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
PubChem CID78943311
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-11(7-12-3-5-14(18)6-4-12)15-8-13-9-16-17(2)10-13/h3-6,9-11,15,18H,7-8H2,1-2H3
InChIKeyQNXVRGRHRGLTNH-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol (CID 78943311) is 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCc1cnn(C)c1.
What is the InChIKey of 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol?
The InChIKey is QNXVRGRHRGLTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(7-12-3-5-14(18)6-4-12)15-8-13-9-16-17(2)10-13/h3-6,9-11,15,18H,7-8H2,1-2H3.
What are the key properties of 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol?
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol is sourced from PubChem (CID 78943311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).