N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine

C12H21N3 — CID 78993034

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3/c1-5-6-7-8-13-9-12-10(2)14-15(4)11(12)3/h5,13H,1,6-9H2,2-4H3
InChIKeyYHALDZRVHIRQTO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds6

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine (PubChem CID 78993034) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
PubChem CID78993034
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3/c1-5-6-7-8-13-9-12-10(2)14-15(4)11(12)3/h5,13H,1,6-9H2,2-4H3
InChIKeyYHALDZRVHIRQTO-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
CID 106709427
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
CID 79242381
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
1,2-dimethyl-1-pent-4-enyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 109499171
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine (CID 78993034) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine is C=CCCCNCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine?
The InChIKey is YHALDZRVHIRQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-7-8-13-9-12-10(2)14-15(4)11(12)3/h5,13H,1,6-9H2,2-4H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 78993034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).