N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine

C11H13FN4 — CID 126782016

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
SMILESCN(Cc1cncc(F)c1)c1cnn(C)c1
InChIInChI=1S/C11H13FN4/c1-15(11-6-14-16(2)8-11)7-9-3-10(12)5-13-4-9/h3-6,8H,7H2,1-2H3
InChIKeyIIFOCYIFGKWCKQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.59
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine

N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine (PubChem CID 126782016) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
PubChem CID126782016
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
SMILESCN(Cc1cncc(F)c1)c1cnn(C)c1
InChIInChI=1S/C11H13FN4/c1-15(11-6-14-16(2)8-11)7-9-3-10(12)5-13-4-9/h3-6,8H,7H2,1-2H3
InChIKeyIIFOCYIFGKWCKQ-UHFFFAOYSA-N
XLogP1.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine (CID 126782016) is N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine is CN(Cc1cncc(F)c1)c1cnn(C)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The InChIKey is IIFOCYIFGKWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-15(11-6-14-16(2)8-11)7-9-3-10(12)5-13-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine is sourced from PubChem (CID 126782016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).