N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

C14H21N5 — CID 126841365

IUPACN-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCCC=CCCNc1cn(C)nc1-c1cnn(C)c1
InChIInChI=1S/C14H21N5/c1-4-5-6-7-8-15-13-11-19(3)17-14(13)12-9-16-18(2)10-12/h5-6,9-11,15H,4,7-8H2,1-3H3
InChIKeyRWBBKGYCRTUBPQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.59
Rot. Bonds6

About N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 126841365) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound NameN-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
PubChem CID126841365
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCCC=CCCNc1cn(C)nc1-c1cnn(C)c1
InChIInChI=1S/C14H21N5/c1-4-5-6-7-8-15-13-11-19(3)17-14(13)12-9-16-18(2)10-12/h5-6,9-11,15H,4,7-8H2,1-3H3
InChIKeyRWBBKGYCRTUBPQ-UHFFFAOYSA-N
XLogP2.59
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (CID 126841365) is N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is CCC=CCCNc1cn(C)nc1-c1cnn(C)c1.
What is the InChIKey of N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is RWBBKGYCRTUBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-6-7-8-15-13-11-19(3)17-14(13)12-9-16-18(2)10-12/h5-6,9-11,15H,4,7-8H2,1-3H3.
What are the key properties of N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-3-enyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 126841365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).