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

C16H23N3O — CID 115729125

IUPAC1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-3-16(20)9-10-17-13(2)14-11-18-19(12-14)15-7-5-4-6-8-15/h4-8,11-13,16-17,20H,3,9-10H2,1-2H3
InChIKeyZHCLBUXVZAFJGB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds7

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

1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol (PubChem CID 115729125) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
PubChem CID115729125
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-3-16(20)9-10-17-13(2)14-11-18-19(12-14)15-7-5-4-6-8-15/h4-8,11-13,16-17,20H,3,9-10H2,1-2H3
InChIKeyZHCLBUXVZAFJGB-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol?
The IUPAC name of 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol (CID 115729125) is 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol.
What is the SMILES notation for 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol?
The canonical SMILES for 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol is CCC(O)CCNC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol?
The InChIKey is ZHCLBUXVZAFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(20)9-10-17-13(2)14-11-18-19(12-14)15-7-5-4-6-8-15/h4-8,11-13,16-17,20H,3,9-10H2,1-2H3.
What are the key properties of 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol?
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol has a molecular weight of 273.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol is sourced from PubChem (CID 115729125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).