1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C11H21N3O — CID 64771323

IUPAC1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCOCC(N)CCc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-6-11(13-14)5-4-10(12)8-15-3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyVMTQZEMLAWMUKL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.37
Rot. Bonds6

About 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 64771323) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID64771323
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCOCC(N)CCc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-6-11(13-14)5-4-10(12)8-15-3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyVMTQZEMLAWMUKL-UHFFFAOYSA-N
XLogP1.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
2-(1-propan-2-ylpyrazol-3-yl)ethylhydrazine
CID 105220698
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
CID 64801344
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
4-chloro-1-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 106152849
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
N'-(2-methoxyethyl)-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 113468470
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 64771323) is 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is COCC(N)CCc1ccn(C(C)C)n1.
What is the InChIKey of 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is VMTQZEMLAWMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-7-6-11(13-14)5-4-10(12)8-15-3/h6-7,9-10H,4-5,8,12H2,1-3H3.
What are the key properties of 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 64771323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).