(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine

C12H21N3 — CID 115632420

IUPAC(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cnn(CCC)c1
InChIInChI=1S/C12H21N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h3,5,10-11,13H,4,6-9H2,1-2H3/b5-3+
InChIKeyUJPHPTBXMURGJM-HWKANZROSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds7

About (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine

(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine (PubChem CID 115632420) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
PubChem CID115632420
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cnn(CCC)c1
InChIInChI=1S/C12H21N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h3,5,10-11,13H,4,6-9H2,1-2H3/b5-3+
InChIKeyUJPHPTBXMURGJM-HWKANZROSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
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

1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine (CID 115632420) is (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cnn(CCC)c1.
What is the InChIKey of (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine?
The InChIKey is UJPHPTBXMURGJM-HWKANZROSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h3,5,10-11,13H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine?
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115632420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).