4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol

C14H19N3O — CID 102804155

IUPAC4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
SMILESCc1nn(C)cc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-10(8-12-4-6-13(18)7-5-12)15-14-9-17(3)16-11(14)2/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyFOMSPOUHGVOYCT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds4

About 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol

4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol (PubChem CID 102804155) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
PubChem CID102804155
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
SMILESCc1nn(C)cc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-10(8-12-4-6-13(18)7-5-12)15-14-9-17(3)16-11(14)2/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyFOMSPOUHGVOYCT-UHFFFAOYSA-N
XLogP2.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
CID 115494162
4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol
CID 115494455
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
CID 102805303
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748239

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol (CID 102804155) is 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol is Cc1nn(C)cc1NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol?
The InChIKey is FOMSPOUHGVOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(8-12-4-6-13(18)7-5-12)15-14-9-17(3)16-11(14)2/h4-7,9-10,15,18H,8H2,1-3H3.
What are the key properties of 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol?
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol is sourced from PubChem (CID 102804155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).