7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C14H21N5 — CID 56905884

IUPAC7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc(CN2CCn3cncc3C2)[nH]n1
InChIInChI=1S/C14H21N5/c1-14(2,3)13-6-11(16-17-13)8-18-4-5-19-10-15-7-12(19)9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyXGWQBFZMDNAAOC-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.92
Rot. Bonds2

About 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 56905884) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID56905884
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1cc(CN2CCn3cncc3C2)[nH]n1
InChIInChI=1S/C14H21N5/c1-14(2,3)13-6-11(16-17-13)8-18-4-5-19-10-15-7-12(19)9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyXGWQBFZMDNAAOC-UHFFFAOYSA-N
XLogP1.92
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 56905884) is 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)(C)c1cc(CN2CCn3cncc3C2)[nH]n1.
What is the InChIKey of 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is XGWQBFZMDNAAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(2,3)13-6-11(16-17-13)8-18-4-5-19-10-15-7-12(19)9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 259.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 56905884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).