4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol

C16H23N3O — CID 103631647

IUPAC4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCC(C)CC(O)CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)8-16(20)11-17-9-14-10-18-19(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17,20H,8-9,11H2,1-2H3
InChIKeyUIIAYNMAIPXWOR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds7

About 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol

4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol (PubChem CID 103631647) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
PubChem CID103631647
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCC(C)CC(O)CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)8-16(20)11-17-9-14-10-18-19(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17,20H,8-9,11H2,1-2H3
InChIKeyUIIAYNMAIPXWOR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 119122223
1-(5-chlorothiophen-2-yl)-2-[(1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111469606
3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 28681591
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
3-methylsulfinyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 115711557
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol (CID 103631647) is 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol is CC(C)CC(O)CNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is UIIAYNMAIPXWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)8-16(20)11-17-9-14-10-18-19(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17,20H,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol?
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 103631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).