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

C17H17N5O — CID 119065619

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCn4cncc4C3)[nH]n2)cc1
InChIInChI=1S/C17H17N5O/c1-12-2-4-13(5-3-12)15-8-16(20-19-15)17(23)21-6-7-22-11-18-9-14(22)10-21/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,20)
InChIKeyWWDLADVDFOYJIZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.24
Rot. Bonds2

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

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 119065619) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID119065619
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCn4cncc4C3)[nH]n2)cc1
InChIInChI=1S/C17H17N5O/c1-12-2-4-13(5-3-12)15-8-16(20-19-15)17(23)21-6-7-22-11-18-9-14(22)10-21/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,20)
InChIKeyWWDLADVDFOYJIZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.24
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-ethylphenyl)-1H-pyrazol-5-yl]methanone
CID 119060791
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 39457294
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 131928830
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 91484720
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119635571
3-fluoro-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259143
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 119065619) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is Cc1ccc(-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-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is WWDLADVDFOYJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-2-4-13(5-3-12)15-8-16(20-19-15)17(23)21-6-7-22-11-18-9-14(22)10-21/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.24, 2 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-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).