2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol

C11H21N3O — CID 103572279

IUPAC2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(N)C(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-4-5-14-7-9(6-13-14)11(15)10(12)8(2)3/h6-8,10-11,15H,4-5,12H2,1-3H3
InChIKeyUYSZGYDYVBHCHA-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol

2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol (PubChem CID 103572279) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
PubChem CID103572279
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(N)C(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-4-5-14-7-9(6-13-14)11(15)10(12)8(2)3/h6-8,10-11,15H,4-5,12H2,1-3H3
InChIKeyUYSZGYDYVBHCHA-UHFFFAOYSA-N
XLogP1.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
4-butan-2-yl-1-propylpyrazole
CID 130194925
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol (CID 103572279) is 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol is CCCn1cc(C(O)C(N)C(C)C)cn1.
What is the InChIKey of 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The InChIKey is UYSZGYDYVBHCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-14-7-9(6-13-14)11(15)10(12)8(2)3/h6-8,10-11,15H,4-5,12H2,1-3H3.
What are the key properties of 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 103572279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).