6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone

C18H19N5O — CID 119060791

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCn4cncc4C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-13-3-5-14(6-4-13)16-9-17(21-20-16)18(24)22-7-8-23-12-19-10-15(23)11-22/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21)
InChIKeyMFYYXKVTMFPNDS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.49
Rot. Bonds3

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 119060791) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID119060791
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCn4cncc4C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-13-3-5-14(6-4-13)16-9-17(21-20-16)18(24)22-7-8-23-12-19-10-15(23)11-22/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21)
InChIKeyMFYYXKVTMFPNDS-UHFFFAOYSA-N
XLogP2.49
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 119065619
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20906489
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56888109
[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 72919306
4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 138384797
[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138386403
N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 154910846
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-6-ethyl-1,5-dimethylpyridin-2-one
CID 56902271
6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894557

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone (CID 119060791) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone is CCc1ccc(-c2cc(C(=O)N3CCn4cncc4C3)[nH]n2)cc1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is MFYYXKVTMFPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-13-3-5-14(6-4-13)16-9-17(21-20-16)18(24)22-7-8-23-12-19-10-15(23)11-22/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21).
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119060791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).