(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C19H21N5O — CID 110117625

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCCn1cc(C(=O)N2Cc3nccn3CC2c2ccccc2)c(C)n1
InChIInChI=1S/C19H21N5O/c1-3-23-11-16(14(2)21-23)19(25)24-13-18-20-9-10-22(18)12-17(24)15-7-5-4-6-8-15/h4-11,17H,3,12-13H2,1-2H3
InChIKeyMCIBOZSWDWKJKD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.81
Rot. Bonds3

About (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 110117625) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID110117625
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCCn1cc(C(=O)N2Cc3nccn3CC2c2ccccc2)c(C)n1
InChIInChI=1S/C19H21N5O/c1-3-23-11-16(14(2)21-23)19(25)24-13-18-20-9-10-22(18)12-17(24)15-7-5-4-6-8-15/h4-11,17H,3,12-13H2,1-2H3
InChIKeyMCIBOZSWDWKJKD-UHFFFAOYSA-N
XLogP2.81
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 110117625) is (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is CCn1cc(C(=O)N2Cc3nccn3CC2c2ccccc2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is MCIBOZSWDWKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-23-11-16(14(2)21-23)19(25)24-13-18-20-9-10-22(18)12-17(24)15-7-5-4-6-8-15/h4-11,17H,3,12-13H2,1-2H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 110117625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).