(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine

C9H15FN4 — CID 166999923

IUPAC(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine
SMILESCC(C)N/C=C(\CN)c1[nH]ncc1F
InChIInChI=1S/C9H15FN4/c1-6(2)12-4-7(3-11)9-8(10)5-13-14-9/h4-6,12H,3,11H2,1-2H3,(H,13,14)/b7-4+
InChIKeyVEMZNKJPGDRGOT-QPJJXVBHSA-N
MW198.24 g/mol
LogP0.85
Rot. Bonds4

About (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine

(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine (PubChem CID 166999923) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine
PubChem CID166999923
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine
SMILESCC(C)N/C=C(\CN)c1[nH]ncc1F
InChIInChI=1S/C9H15FN4/c1-6(2)12-4-7(3-11)9-8(10)5-13-14-9/h4-6,12H,3,11H2,1-2H3,(H,13,14)/b7-4+
InChIKeyVEMZNKJPGDRGOT-QPJJXVBHSA-N
XLogP0.85
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine (CID 166999923) is (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine is CC(C)N/C=C(\CN)c1[nH]ncc1F.
What is the InChIKey of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine?
The InChIKey is VEMZNKJPGDRGOT-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15FN4/c1-6(2)12-4-7(3-11)9-8(10)5-13-14-9/h4-6,12H,3,11H2,1-2H3,(H,13,14)/b7-4+.
What are the key properties of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine?
(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine has a molecular weight of 198.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine is sourced from PubChem (CID 166999923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).