[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone

C21H29N5O — CID 68650104

IUPAC[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
SMILESO=C(N1CCn2cncc2C1)N1C=CCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N5O/c27-20(23-4-5-24-15-22-12-19(24)13-23)26-3-1-2-25(26)14-21-9-16-6-17(10-21)8-18(7-16)11-21/h1,3,12,15-18H,2,4-11,13-14H2
InChIKeyHHTUDBUZSOPQIQ-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.08
Rot. Bonds2

About [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone

[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 68650104) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
PubChem CID68650104
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
SMILESO=C(N1CCn2cncc2C1)N1C=CCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N5O/c27-20(23-4-5-24-15-22-12-19(24)13-23)26-3-1-2-25(26)14-21-9-16-6-17(10-21)8-18(7-16)11-21/h1,3,12,15-18H,2,4-11,13-14H2
InChIKeyHHTUDBUZSOPQIQ-UHFFFAOYSA-N
XLogP3.08
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone (CID 68650104) is [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone is O=C(N1CCn2cncc2C1)N1C=CCN1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is HHTUDBUZSOPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-20(23-4-5-24-15-22-12-19(24)13-23)26-3-1-2-25(26)14-21-9-16-6-17(10-21)8-18(7-16)11-21/h1,3,12,15-18H,2,4-11,13-14H2.
What are the key properties of [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
[2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 367.50 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethyl)-3H-pyrazol-1-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 68650104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).