(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C15H14N4 — CID 44574103

IUPAC(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1
InChIInChI=1S/C15H14N4/c1-2-5-14(19-8-3-6-17-19)13(4-1)12-10-15-16-7-9-18(15)11-12/h1-9,12H,10-11H2/t12-/m1/s1
InChIKeyIPPGENORPYHMGX-GFCCVEGCSA-N
MW250.31 g/mol
LogP2.41
Rot. Bonds2

About (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574103) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574103
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1
InChIInChI=1S/C15H14N4/c1-2-5-14(19-8-3-6-17-19)13(4-1)12-10-15-16-7-9-18(15)11-12/h1-9,12H,10-11H2/t12-/m1/s1
InChIKeyIPPGENORPYHMGX-GFCCVEGCSA-N
XLogP2.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574103) is (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1.
What is the InChIKey of (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is IPPGENORPYHMGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-5-14(19-8-3-6-17-19)13(4-1)12-10-15-16-7-9-18(15)11-12/h1-9,12H,10-11H2/t12-/m1/s1.
What are the key properties of (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 250.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-pyrazol-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).