5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine

C10H15N3 — CID 174193718

IUPAC5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
SMILESC=C/C(=C\c1[nH]ncc1N)C(C)C
InChIInChI=1S/C10H15N3/c1-4-8(7(2)3)5-10-9(11)6-12-13-10/h4-7H,1,11H2,2-3H3,(H,12,13)/b8-5+
InChIKeyIQIZMSGIELUFIQ-VMPITWQZSA-N
MW177.25 g/mol
LogP2.22
Rot. Bonds3

About 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine

5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine (PubChem CID 174193718) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
PubChem CID174193718
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine
SMILESC=C/C(=C\c1[nH]ncc1N)C(C)C
InChIInChI=1S/C10H15N3/c1-4-8(7(2)3)5-10-9(11)6-12-13-10/h4-7H,1,11H2,2-3H3,(H,12,13)/b8-5+
InChIKeyIQIZMSGIELUFIQ-VMPITWQZSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine (CID 174193718) is 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine is C=C/C(=C\c1[nH]ncc1N)C(C)C.
What is the InChIKey of 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine?
The InChIKey is IQIZMSGIELUFIQ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-8(7(2)3)5-10-9(11)6-12-13-10/h4-7H,1,11H2,2-3H3,(H,12,13)/b8-5+.
What are the key properties of 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine?
5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine has a molecular weight of 177.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 174193718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).