4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol

C16H23N3O — CID 104861935

IUPAC4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
SMILESCc1cnn(CCNC(C)CCc2ccc(O)cc2)c1
InChIInChI=1S/C16H23N3O/c1-13-11-18-19(12-13)10-9-17-14(2)3-4-15-5-7-16(20)8-6-15/h5-8,11-12,14,17,20H,3-4,9-10H2,1-2H3
InChIKeyOKYGEGKZJPQMJR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds7

About 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol

4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol (PubChem CID 104861935) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
PubChem CID104861935
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
SMILESCc1cnn(CCNC(C)CCc2ccc(O)cc2)c1
InChIInChI=1S/C16H23N3O/c1-13-11-18-19(12-13)10-9-17-14(2)3-4-15-5-7-16(20)8-6-15/h5-8,11-12,14,17,20H,3-4,9-10H2,1-2H3
InChIKeyOKYGEGKZJPQMJR-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
1-ethyl-2-[2-(4-methylpyrazol-1-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111761600
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol (CID 104861935) is 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol is Cc1cnn(CCNC(C)CCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol?
The InChIKey is OKYGEGKZJPQMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-11-18-19(12-13)10-9-17-14(2)3-4-15-5-7-16(20)8-6-15/h5-8,11-12,14,17,20H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol?
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol is sourced from PubChem (CID 104861935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).