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

C11H21N3O — CID 79617518

IUPAC3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCOC(C)C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)14-6-5-10(13-14)7-11(12)9(3)15-4/h5-6,8-9,11H,7,12H2,1-4H3
InChIKeyNFZAZFYTGZSFAL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.37
Rot. Bonds5

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

3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 79617518) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID79617518
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCOC(C)C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)14-6-5-10(13-14)7-11(12)9(3)15-4/h5-6,8-9,11H,7,12H2,1-4H3
InChIKeyNFZAZFYTGZSFAL-UHFFFAOYSA-N
XLogP1.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116757473
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 104990126
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 116772099
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 79617518) is 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is COC(C)C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is NFZAZFYTGZSFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)14-6-5-10(13-14)7-11(12)9(3)15-4/h5-6,8-9,11H,7,12H2,1-4H3.
What are the key properties of 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 79617518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).