(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C16H16N4 — CID 44574080

IUPAC(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1
InChIInChI=1S/C16H16N4/c1-19-10-13(9-18-19)15-5-3-2-4-14(15)12-8-16-17-6-7-20(16)11-12/h2-7,9-10,12H,8,11H2,1H3/t12-/m1/s1
InChIKeyQUSFXAATAPEOAD-GFCCVEGCSA-N
MW264.33 g/mol
LogP2.62
Rot. Bonds2

About (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574080) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574080
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1
InChIInChI=1S/C16H16N4/c1-19-10-13(9-18-19)15-5-3-2-4-14(15)12-8-16-17-6-7-20(16)11-12/h2-7,9-10,12H,8,11H2,1H3/t12-/m1/s1
InChIKeyQUSFXAATAPEOAD-GFCCVEGCSA-N
XLogP2.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Related Compounds

2,7-diethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 9801006
Baz2-icr
CID 91654625
Pmid25719566C7
CID 91827353
Ido/tdo-IN-1
CID 122650373
6-(5-fluoro-2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44219718
(S)-6-(2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574074
(S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574078
2-Butyl-5-ethyl-3-[[2'-(5-tetrazolyl)biphenyl-4-yl]methyl]-3H-imidazo[1,2-b][1,2,4]-triazole
CID 9985840
2-Butyl-5-methyl-3-[[2'-(5-tetrazolyl)biphenyl-4-yl]methyl]-3H-imidazo[1,2-b]-[1,2,4]triazole
CID 10001717
2-Butyl-6-phenyl-3-[[2'-(5-tetrazolyl)biphenyl-4-yl]methyl]-3H-imidazo[1,2-b][1,2,4]triazole
CID 10096463
2-Butyl-5-phenyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazo[1,2-b][1,2,4]triazole
CID 10100625
US9790203, Example 7
CID 76283147

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574080) is (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1.
What is the InChIKey of (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is QUSFXAATAPEOAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N4/c1-19-10-13(9-18-19)15-5-3-2-4-14(15)12-8-16-17-6-7-20(16)11-12/h2-7,9-10,12H,8,11H2,1H3/t12-/m1/s1.
What are the key properties of (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 264.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[2-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).