1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine

C12H19N3 — CID 130292707

IUPAC1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine
SMILESC/C=C\C(=C/c1c(N)cnn1CC)CC
InChIInChI=1S/C12H19N3/c1-4-7-10(5-2)8-12-11(13)9-14-15(12)6-3/h4,7-9H,5-6,13H2,1-3H3/b7-4-,10-8-
InChIKeyFHWSKVDWDMNCTF-NIQHGUSQSA-N
MW205.31 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine

1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine (PubChem CID 130292707) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine
PubChem CID130292707
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine
SMILESC/C=C\C(=C/c1c(N)cnn1CC)CC
InChIInChI=1S/C12H19N3/c1-4-7-10(5-2)8-12-11(13)9-14-15(12)6-3/h4,7-9H,5-6,13H2,1-3H3/b7-4-,10-8-
InChIKeyFHWSKVDWDMNCTF-NIQHGUSQSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine (CID 130292707) is 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine is C/C=C\C(=C/c1c(N)cnn1CC)CC.
What is the InChIKey of 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine?
The InChIKey is FHWSKVDWDMNCTF-NIQHGUSQSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-7-10(5-2)8-12-11(13)9-14-15(12)6-3/h4,7-9H,5-6,13H2,1-3H3/b7-4-,10-8-.
What are the key properties of 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine?
1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine is sourced from PubChem (CID 130292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).