N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine

C12H21N3 — CID 79485529

IUPACN-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCC(C)c1nn(C)cc1CNCC
InChIInChI=1S/C12H21N3/c1-5-7-10(3)12-11(8-13-6-2)9-15(4)14-12/h5,9-10,13H,1,6-8H2,2-4H3
InChIKeyOWISKBODRDZYDB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds6

About N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine

N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 79485529) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID79485529
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCC(C)c1nn(C)cc1CNCC
InChIInChI=1S/C12H21N3/c1-5-7-10(3)12-11(8-13-6-2)9-15(4)14-12/h5,9-10,13H,1,6-8H2,2-4H3
InChIKeyOWISKBODRDZYDB-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
3-ethenoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43771284
4-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 165438711
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
2,2-dimethyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanenitrile
CID 104587141

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine (CID 79485529) is N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine is C=CCC(C)c1nn(C)cc1CNCC.
What is the InChIKey of N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OWISKBODRDZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-10(3)12-11(8-13-6-2)9-15(4)14-12/h5,9-10,13H,1,6-8H2,2-4H3.
What are the key properties of N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine?
N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).