5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine

C10H15FN4 — CID 174101065

IUPAC5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine
SMILESC=C(F)C=Nc1c(C(C)C)c(N)nn1C
InChIInChI=1S/C10H15FN4/c1-6(2)8-9(12)14-15(4)10(8)13-5-7(3)11/h5-6H,3H2,1-2,4H3,(H2,12,14)
InChIKeyFYEQMSDQKDKZJC-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.31
Rot. Bonds3

About 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine

5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine (PubChem CID 174101065) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine
PubChem CID174101065
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine
SMILESC=C(F)C=Nc1c(C(C)C)c(N)nn1C
InChIInChI=1S/C10H15FN4/c1-6(2)8-9(12)14-15(4)10(8)13-5-7(3)11/h5-6H,3H2,1-2,4H3,(H2,12,14)
InChIKeyFYEQMSDQKDKZJC-UHFFFAOYSA-N
XLogP2.31
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine (CID 174101065) is 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine is C=C(F)C=Nc1c(C(C)C)c(N)nn1C.
What is the InChIKey of 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine?
The InChIKey is FYEQMSDQKDKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-6(2)8-9(12)14-15(4)10(8)13-5-7(3)11/h5-6H,3H2,1-2,4H3,(H2,12,14).
What are the key properties of 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine?
5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine has a molecular weight of 210.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroprop-2-enylideneamino)-1-methyl-4-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 174101065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).