4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol

C14H19N3O — CID 43534909

IUPAC4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-11(16-13-9-15-17(2)10-13)3-4-12-5-7-14(18)8-6-12/h5-11,16,18H,3-4H2,1-2H3
InChIKeyMZXXKNPHMFQWHX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds5

About 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol

4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol (PubChem CID 43534909) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
PubChem CID43534909
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-11(16-13-9-15-17(2)10-13)3-4-12-5-7-14(18)8-6-12/h5-11,16,18H,3-4H2,1-2H3
InChIKeyMZXXKNPHMFQWHX-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
CID 43534964
4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124577010
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol (CID 43534909) is 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol is CC(CCc1ccc(O)cc1)Nc1cnn(C)c1.
What is the InChIKey of 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol?
The InChIKey is MZXXKNPHMFQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(16-13-9-15-17(2)10-13)3-4-12-5-7-14(18)8-6-12/h5-11,16,18H,3-4H2,1-2H3.
What are the key properties of 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol?
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol is sourced from PubChem (CID 43534909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).