N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine

C15H14F2N4 — CID 103126944

IUPACN-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cnn2ccncc12
InChIInChI=1S/C15H14F2N4/c1-2-19-15(10-5-11(16)7-12(17)6-10)13-8-20-21-4-3-18-9-14(13)21/h3-9,15,19H,2H2,1H3
InChIKeyVWWGCQOGQMJXKO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.71
Rot. Bonds4

About N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine

N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine (PubChem CID 103126944) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
PubChem CID103126944
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC NameN-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cnn2ccncc12
InChIInChI=1S/C15H14F2N4/c1-2-19-15(10-5-11(16)7-12(17)6-10)13-8-20-21-4-3-18-9-14(13)21/h3-9,15,19H,2H2,1H3
InChIKeyVWWGCQOGQMJXKO-UHFFFAOYSA-N
XLogP2.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127200
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127143
N,2-diethyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103127786
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-2-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 114013583
N-[(6-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103127071
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127976
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine (CID 103126944) is N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1cnn2ccncc12.
What is the InChIKey of N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The InChIKey is VWWGCQOGQMJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-2-19-15(10-5-11(16)7-12(17)6-10)13-8-20-21-4-3-18-9-14(13)21/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine is sourced from PubChem (CID 103126944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).