2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H21N5 — CID 86774912

IUPAC2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1nc2n(c1C)CCN(Cc1ccn(-c3ccccc3)n1)C2
InChIInChI=1S/C18H21N5/c1-14-15(2)22-11-10-21(13-18(22)19-14)12-16-8-9-23(20-16)17-6-4-3-5-7-17/h3-9H,10-13H2,1-2H3
InChIKeyNGLGVTSAIRIFJA-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.70
Rot. Bonds3

About 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 86774912) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID86774912
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1nc2n(c1C)CCN(Cc1ccn(-c3ccccc3)n1)C2
InChIInChI=1S/C18H21N5/c1-14-15(2)22-11-10-21(13-18(22)19-14)12-16-8-9-23(20-16)17-6-4-3-5-7-17/h3-9H,10-13H2,1-2H3
InChIKeyNGLGVTSAIRIFJA-UHFFFAOYSA-N
XLogP2.70
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 86774912) is 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cc1nc2n(c1C)CCN(Cc1ccn(-c3ccccc3)n1)C2.
What is the InChIKey of 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is NGLGVTSAIRIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-15(2)22-11-10-21(13-18(22)19-14)12-16-8-9-23(20-16)17-6-4-3-5-7-17/h3-9H,10-13H2,1-2H3.
What are the key properties of 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 307.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[(1-phenylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 86774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).