4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol

C16H23N3O2 — CID 103785449

IUPAC4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O2/c1-13(18-15(8-9-20)12-21-2)14-10-17-19(11-14)16-6-4-3-5-7-16/h3-7,10-11,13,15,18,20H,8-9,12H2,1-2H3
InChIKeyPPQWZOYGVHATGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.92
Rot. Bonds8

About 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol

4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol (PubChem CID 103785449) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
PubChem CID103785449
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O2/c1-13(18-15(8-9-20)12-21-2)14-10-17-19(11-14)16-6-4-3-5-7-16/h3-7,10-11,13,15,18,20H,8-9,12H2,1-2H3
InChIKeyPPQWZOYGVHATGC-UHFFFAOYSA-N
XLogP1.92
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol (CID 103785449) is 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol is COCC(CCO)NC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is PPQWZOYGVHATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(18-15(8-9-20)12-21-2)14-10-17-19(11-14)16-6-4-3-5-7-16/h3-7,10-11,13,15,18,20H,8-9,12H2,1-2H3.
What are the key properties of 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol?
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103785449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).