3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine

C11H21N3O — CID 115708657

IUPAC3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(11(2)15-3)12-6-4-8-14-9-5-7-13-14/h5,7,9-12H,4,6,8H2,1-3H3
InChIKeyCBSWGXVZTUSVAR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.29
Rot. Bonds7

About 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine

3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine (PubChem CID 115708657) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
PubChem CID115708657
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(11(2)15-3)12-6-4-8-14-9-5-7-13-14/h5,7,9-12H,4,6,8H2,1-3H3
InChIKeyCBSWGXVZTUSVAR-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708660
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708576
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine (CID 115708657) is 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine is COC(C)C(C)NCCCn1cccn1.
What is the InChIKey of 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine?
The InChIKey is CBSWGXVZTUSVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(11(2)15-3)12-6-4-8-14-9-5-7-13-14/h5,7,9-12H,4,6,8H2,1-3H3.
What are the key properties of 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine?
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine is sourced from PubChem (CID 115708657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).