4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide

C19H23N5O — CID 138052927

IUPAC4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C19H23N5O/c1-19(2,3)16-11-15-18(21-9-10-24(15)22-16)23(4)12-13-5-7-14(8-6-13)17(20)25/h5-11H,12H2,1-4H3,(H2,20,25)
InChIKeyGFXIQPOYFKPKLO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.76
Rot. Bonds4

About 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide

4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide (PubChem CID 138052927) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
PubChem CID138052927
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C19H23N5O/c1-19(2,3)16-11-15-18(21-9-10-24(15)22-16)23(4)12-13-5-7-14(8-6-13)17(20)25/h5-11H,12H2,1-4H3,(H2,20,25)
InChIKeyGFXIQPOYFKPKLO-UHFFFAOYSA-N
XLogP2.76
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide (CID 138052927) is 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide?
The InChIKey is GFXIQPOYFKPKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-19(2,3)16-11-15-18(21-9-10-24(15)22-16)23(4)12-13-5-7-14(8-6-13)17(20)25/h5-11H,12H2,1-4H3,(H2,20,25).
What are the key properties of 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide?
4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide is sourced from PubChem (CID 138052927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).