1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

C14H12F2N4 — CID 103127246

IUPAC1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCNC(c1cccc(F)c1F)c1cnn2ccncc12
InChIInChI=1S/C14H12F2N4/c1-17-14(9-3-2-4-11(15)13(9)16)10-7-19-20-6-5-18-8-12(10)20/h2-8,14,17H,1H3
InChIKeyKOYUSTHDQUUWRX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (PubChem CID 103127246) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
PubChem CID103127246
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCNC(c1cccc(F)c1F)c1cnn2ccncc12
InChIInChI=1S/C14H12F2N4/c1-17-14(9-3-2-4-11(15)13(9)16)10-7-19-20-6-5-18-8-12(10)20/h2-8,14,17H,1H3
InChIKeyKOYUSTHDQUUWRX-UHFFFAOYSA-N
XLogP2.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129566
N-methyl-1-(1-methylimidazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127194
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129309
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126337
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128185
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127976
[(5-bromo-2-fluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]hydrazine
CID 103129826
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103126263
[pyrazolo[1,5-a]pyrazin-3-yl(thiophen-2-yl)methyl]hydrazine
CID 103129456
N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103126944

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (CID 103127246) is 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is CNC(c1cccc(F)c1F)c1cnn2ccncc12.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The InChIKey is KOYUSTHDQUUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-17-14(9-3-2-4-11(15)13(9)16)10-7-19-20-6-5-18-8-12(10)20/h2-8,14,17H,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine has a molecular weight of 274.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is sourced from PubChem (CID 103127246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).