[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine

C9H12FN5 — CID 70851823

IUPAC[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
SMILESCc1c(F)c(-n2ccc(CN)n2)nn1C
InChIInChI=1S/C9H12FN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3
InChIKeyBXAPQNHPVOTUGW-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.51
Rot. Bonds2

About [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine

[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine (PubChem CID 70851823) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
PubChem CID70851823
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
SMILESCc1c(F)c(-n2ccc(CN)n2)nn1C
InChIInChI=1S/C9H12FN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3
InChIKeyBXAPQNHPVOTUGW-UHFFFAOYSA-N
XLogP0.51
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine (CID 70851823) is [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine is Cc1c(F)c(-n2ccc(CN)n2)nn1C.
What is the InChIKey of [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The InChIKey is BXAPQNHPVOTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3.
What are the key properties of [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
[1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine has a molecular weight of 209.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 70851823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).