1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine

C10H12FN3 — CID 142887935

IUPAC1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine
SMILESC=C(F)/C(=C\C=C/C)n1ccc(N)n1
InChIInChI=1S/C10H12FN3/c1-3-4-5-9(8(2)11)14-7-6-10(12)13-14/h3-7H,2H2,1H3,(H2,12,13)/b4-3-,9-5+
InChIKeyCJZNMWSYJXIDTR-XBURUKCPSA-N
MW193.22 g/mol
LogP2.37
Rot. Bonds3

About 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine

1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine (PubChem CID 142887935) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine
PubChem CID142887935
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine
SMILESC=C(F)/C(=C\C=C/C)n1ccc(N)n1
InChIInChI=1S/C10H12FN3/c1-3-4-5-9(8(2)11)14-7-6-10(12)13-14/h3-7H,2H2,1H3,(H2,12,13)/b4-3-,9-5+
InChIKeyCJZNMWSYJXIDTR-XBURUKCPSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-aminopyrazole
CID 137254
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
CID 47002600
1-Propyl-1H-pyrazol-5-amine
CID 1084923
1-propyl-1H-pyrazol-3-amine
CID 7017771
1-tert-Butyl-1H-pyrazol-3-amine
CID 13217572
1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2-methylpropyl)-1H-pyrazol-3-amine
CID 19619839

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine?
The IUPAC name of 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine (CID 142887935) is 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine?
The canonical SMILES for 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine is C=C(F)/C(=C\C=C/C)n1ccc(N)n1.
What is the InChIKey of 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine?
The InChIKey is CJZNMWSYJXIDTR-XBURUKCPSA-N. The full InChI is InChI=1S/C10H12FN3/c1-3-4-5-9(8(2)11)14-7-6-10(12)13-14/h3-7H,2H2,1H3,(H2,12,13)/b4-3-,9-5+.
What are the key properties of 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine?
1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine has a molecular weight of 193.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine is sourced from PubChem (CID 142887935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).