4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine

C14H21N3 — CID 143843847

IUPAC4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine
SMILESC=C(CC)c1cnn(C(/C=C\C)=C/C)c1NC
InChIInChI=1S/C14H21N3/c1-6-9-12(8-3)17-14(15-5)13(10-16-17)11(4)7-2/h6,8-10,15H,4,7H2,1-3,5H3/b9-6-,12-8+
InChIKeyQKDRXHOTVMFOJA-QYPWSSHISA-N
MW231.34 g/mol
LogP3.78
Rot. Bonds5

About 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine

4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine (PubChem CID 143843847) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine
PubChem CID143843847
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine
SMILESC=C(CC)c1cnn(C(/C=C\C)=C/C)c1NC
InChIInChI=1S/C14H21N3/c1-6-9-12(8-3)17-14(15-5)13(10-16-17)11(4)7-2/h6,8-10,15H,4,7H2,1-3,5H3/b9-6-,12-8+
InChIKeyQKDRXHOTVMFOJA-QYPWSSHISA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine with MolForge

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Related Compounds

1-(5-Amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 69727889
4-Cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
CID 90169153
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370
ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-7,7-dimethyl-3-prop-1-en-2-yl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine
CID 142866595
4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine;ethane;propane
CID 143843846
ethane;N-ethyl-1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pyrazol-5-amine
CID 144717413
1-[(Z,1E)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-enyl]-4-pent-1-en-2-ylpyrazole
CID 146581229
2-(5-Amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 154494064
N-[1-[1-(cyclohepta-1,4,6-trien-1-ylmethylamino)prop-1-enyl]-4-cyclopropylpyrazol-5-yl]-N'-methylmethanimidamide
CID 166932609
4-(3-Aminopropyl)-1-ethylpyrazol-5-amine
CID 115069512
4-(3-Aminopropyl)-1-propan-2-ylpyrazol-5-amine
CID 115069513
4-(3-Aminopropyl)-1-tert-butylpyrazol-5-amine
CID 115069514

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine?
The IUPAC name of 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine (CID 143843847) is 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine.
What is the SMILES notation for 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine?
The canonical SMILES for 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine is C=C(CC)c1cnn(C(/C=C\C)=C/C)c1NC.
What is the InChIKey of 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine?
The InChIKey is QKDRXHOTVMFOJA-QYPWSSHISA-N. The full InChI is InChI=1S/C14H21N3/c1-6-9-12(8-3)17-14(15-5)13(10-16-17)11(4)7-2/h6,8-10,15H,4,7H2,1-3,5H3/b9-6-,12-8+.
What are the key properties of 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine?
4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine has a molecular weight of 231.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylpyrazol-5-amine is sourced from PubChem (CID 143843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).