N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C15H15FN4 — CID 104731881

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc(CNc2nccn3nccc23)cc(C)c1F
InChIInChI=1S/C15H15FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15-13-3-4-19-20(13)6-5-17-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyCNBVZTCLKGLWDJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.10
Rot. Bonds3

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731881) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731881
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc(CNc2nccn3nccc23)cc(C)c1F
InChIInChI=1S/C15H15FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15-13-3-4-19-20(13)6-5-17-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyCNBVZTCLKGLWDJ-UHFFFAOYSA-N
XLogP3.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104731881) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc(CNc2nccn3nccc23)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is CNBVZTCLKGLWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15-13-3-4-19-20(13)6-5-17-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 270.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).