(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine

C8H15FN4 — CID 163968258

IUPAC(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine
SMILESCNC(Nc1ccn(C)n1)[C@@H](C)F
InChIInChI=1S/C8H15FN4/c1-6(9)8(10-2)11-7-4-5-13(3)12-7/h4-6,8,10H,1-3H3,(H,11,12)/t6-,8?/m1/s1
InChIKeySNSPJHWMVIEROR-XPJFZRNWSA-N
MW186.23 g/mol
LogP0.74
Rot. Bonds4

About (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine

(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine (PubChem CID 163968258) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine.

Molecular Properties

Compound Name(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine
PubChem CID163968258
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine
SMILESCNC(Nc1ccn(C)n1)[C@@H](C)F
InChIInChI=1S/C8H15FN4/c1-6(9)8(10-2)11-7-4-5-13(3)12-7/h4-6,8,10H,1-3H3,(H,11,12)/t6-,8?/m1/s1
InChIKeySNSPJHWMVIEROR-XPJFZRNWSA-N
XLogP0.74
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine?
The IUPAC name of (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine (CID 163968258) is (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine.
What is the SMILES notation for (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine?
The canonical SMILES for (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine is CNC(Nc1ccn(C)n1)[C@@H](C)F.
What is the InChIKey of (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine?
The InChIKey is SNSPJHWMVIEROR-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H15FN4/c1-6(9)8(10-2)11-7-4-5-13(3)12-7/h4-6,8,10H,1-3H3,(H,11,12)/t6-,8?/m1/s1.
What are the key properties of (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine?
(2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine has a molecular weight of 186.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-1-N-methyl-1-N'-(1-methylpyrazol-3-yl)propane-1,1-diamine is sourced from PubChem (CID 163968258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).