1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine

C11H21N3O — CID 105113884

IUPAC1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
SMILESCCCOCCC(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-3-5-15-6-4-11(12)7-10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyYGPGXZBVWDPQHF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine

1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine (PubChem CID 105113884) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
PubChem CID105113884
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
SMILESCCCOCCC(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-3-5-15-6-4-11(12)7-10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyYGPGXZBVWDPQHF-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 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 ≤ 51.11
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

1-(1-methylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148190
N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
CID 103029700
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 116718521
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one
CID 103024051
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine (CID 105113884) is 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine is CCCOCCC(N)Cc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine?
The InChIKey is YGPGXZBVWDPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-15-6-4-11(12)7-10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine?
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine is sourced from PubChem (CID 105113884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).