N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine

C11H19N3 — CID 129322576

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(C)nn(CC)c1C
InChIInChI=1S/C11H19N3/c1-5-7-12-8-11-9(3)13-14(6-2)10(11)4/h5,12H,1,6-8H2,2-4H3
InChIKeyKABALNALOYWYIZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.80
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 129322576) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID129322576
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(C)nn(CC)c1C
InChIInChI=1S/C11H19N3/c1-5-7-12-8-11-9(3)13-14(6-2)10(11)4/h5,12H,1,6-8H2,2-4H3
InChIKeyKABALNALOYWYIZ-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.80
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-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 62567598
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467961
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 95319664
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 75377479

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine (CID 129322576) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine is C=CCNCc1c(C)nn(CC)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is KABALNALOYWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-7-12-8-11-9(3)13-14(6-2)10(11)4/h5,12H,1,6-8H2,2-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 129322576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).