4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol

C11H21N3O2 — CID 114665922

IUPAC4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
SMILESCCCn1ncc(OC)c1C(C)(O)CCN
InChIInChI=1S/C11H21N3O2/c1-4-7-14-10(9(16-3)8-13-14)11(2,15)5-6-12/h8,15H,4-7,12H2,1-3H3
InChIKeyIEVAFWPLJCESMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.86
Rot. Bonds6

About 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol

4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol (PubChem CID 114665922) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
PubChem CID114665922
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
SMILESCCCn1ncc(OC)c1C(C)(O)CCN
InChIInChI=1S/C11H21N3O2/c1-4-7-14-10(9(16-3)8-13-14)11(2,15)5-6-12/h8,15H,4-7,12H2,1-3H3
InChIKeyIEVAFWPLJCESMP-UHFFFAOYSA-N
XLogP0.86
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
CID 114633474
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
CID 114866248
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 114664684
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol (CID 114665922) is 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol is CCCn1ncc(OC)c1C(C)(O)CCN.
What is the InChIKey of 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol?
The InChIKey is IEVAFWPLJCESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-7-14-10(9(16-3)8-13-14)11(2,15)5-6-12/h8,15H,4-7,12H2,1-3H3.
What are the key properties of 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol?
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol is sourced from PubChem (CID 114665922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).