(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C18H18N4O — CID 51093120

IUPAC(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCn3cccc3C2c2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O/c1-13-12-15(20-19-13)18(23)22-11-10-21-9-5-8-16(21)17(22)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,19,20)
InChIKeyQLDPVSSEAQAGJA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.77
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 51093120) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID51093120
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCn3cccc3C2c2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O/c1-13-12-15(20-19-13)18(23)22-11-10-21-9-5-8-16(21)17(22)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,19,20)
InChIKeyQLDPVSSEAQAGJA-UHFFFAOYSA-N
XLogP2.77
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 51093120) is (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1cc(C(=O)N2CCn3cccc3C2c2ccccc2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is QLDPVSSEAQAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-12-15(20-19-13)18(23)22-11-10-21-9-5-8-16(21)17(22)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,19,20).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 51093120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).