(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C17H27N5O — CID 75537133

IUPAC(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cn1
InChIInChI=1S/C17H27N5O/c1-19-10-14(9-18-19)11-20-7-8-21-16(12-20)13-22(17(21)23)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m1/s1
InChIKeyHDIDVFXFYIGQCA-MRXNPFEDSA-N
MW317.44 g/mol
LogP1.67
Rot. Bonds3

About (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537133) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537133
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cn1
InChIInChI=1S/C17H27N5O/c1-19-10-14(9-18-19)11-20-7-8-21-16(12-20)13-22(17(21)23)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m1/s1
InChIKeyHDIDVFXFYIGQCA-MRXNPFEDSA-N
XLogP1.67
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368684
N-[3-(4-methylpyrazol-1-yl)propyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75420140
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118745374
(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537117
1-(4-Ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 56802675
(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368712
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 172485644
(5R,10S)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97503867
(5S,10S)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97503868
(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 98778574
(5R,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 98778575
10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 131650957

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537133) is (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cn1cc(CN2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cn1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is HDIDVFXFYIGQCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N5O/c1-19-10-14(9-18-19)11-20-7-8-21-16(12-20)13-22(17(21)23)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 317.44 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).